Diazepam (CED0001393)

Record Information
Version1.0
Creation Date2009-07-21 20:27:45 UTC
Update Date2026-05-14 16:50:04 UTC
SynCED IDCED0001393
Secondary Accession Numbers
  • CHEM002281
  • T3D2903
Identification
Common NameDiazepam
ClassSmall Molecule
Description
Diazepam belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. This exogenous solid has the formula C16H13ClN2O and an average molecular weight of 284.74 g/mol. It is classified as a drug, a human metabolite, and is used as an anxiolytic, sedative, and anticonvulsant (PMC6908714 ). It is used as a treatment for anxiety (PMC9899055 ), though it is associated with low birth weight (PMC12987490 ). The compound acts on 23 recorded protein targets, including the translocator protein (TSPO) and subunits of the gamma-aminobutyric acid receptor such as alpha-1 (GABRA1), alpha-2 (GABRA2), alpha-3 (GABRA3), beta-1 (GABRB1), beta-2 (GABRB2), and beta-3 (GABRB3), as well as serving as a positive allosteric modulator of the alpha-5 subunit (GABRA5). Benzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. Because benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cel. Diazepam has been found in 43 recorded sources, including anxiolytics in healthcare, pharmaceuticals, and veterinary products; drinking water; floors and ladders in building and construction; beer fermentation, wine preparation, and meat or fish processing in food and cookware; various household cleaning and consumer products; and electrical and electronic equipment. Recorded exposure routes include oral, intravenous, intramuscular, rectal, nasal, buccal, and topical.
Contaminant Type
  • Adjuvant, Anesthesia
  • Amide
  • Amine
  • Anesthetic, Intravenous
  • Anti-Anxiety Agent
  • Anticonvulsant
  • Antiemetic
  • Drug
  • Food Toxin
  • GABA Modulator
  • Human Neurotoxin
  • Hypnotic and Sedative
  • Metabolite
  • Muscle Relaxant, Central
  • Organic Compound
  • Organochloride
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-oneChEBI
Methyl diazepinoneChEBI
ValiumChEBI
DiastatKegg
MethyldiazepinoneHMDB
ApaurinMeSH, HMDB
FaustanMeSH, HMDB
RelaniumMeSH, HMDB
SeduxenMeSH, HMDB
DiazemulsMeSH, HMDB
SibazonMeSH, HMDB
StesolidMeSH, HMDB
Chemical FormulaC16H13ClN2O
Average Molecular Mass284.740 g/mol
Monoisotopic Mass284.072 g/mol
CAS Registry Number439-14-5
IUPAC Name7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Traditional Namediazepam
SMILESCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI KeyAAOVKJBEBIDNHE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzodiazepines
Sub Class1,4-benzodiazepines
Direct Parent1,4-benzodiazepines
Alternative Parents
Substituents
  • 1,4-benzodiazepine
  • Alpha-amino acid or derivatives
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Ketimine
  • Lactam
  • Carboxylic acid derivative
  • Azacycle
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxygen compound
  • Imine
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • white colour ?
  • colorless colour ?
  • light yellow colour ?
  • pale yellow colour ?
  • milky colour ?
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point125-126°C
Boiling PointNot Available
Solubility50 mg/L (at 25°C)
Predicted Properties
PropertyValueSource
Water Solubility0.012 g/LALOGPS
logP2.63ALOGPS
logP3.08ChemAxon
logS-4.4ALOGPS
pKa (Strongest Basic)2.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area32.67 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity79.81 m³·mol⁻¹ChemAxon
Polarizability29.39 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-000i-0090000000-413ec5151b3a9fd41c47Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-3690000000-3c601fed832ff090653aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a59-1290000000-da27f63bddb3263e0063Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000i-0090000000-413ec5151b3a9fd41c47Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-3690000000-3c601fed832ff090653aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a59-1290000000-da27f63bddb3263e0063Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05r0-1290000000-3f7c85c012a85c7146deNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-bece36773a183e23bfffNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0490000000-fbdfb84836374f27ffc7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0950000000-75d9ab376c968b83f255Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-c585bcb21e1b3008adc1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-2c33d4fd40c36c20a4a6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-695f91d3d5f2e1902be3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-15d8ced2d42d3e292bb1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-dfdaecb8b27bc1ad2c9eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fdx-0890000000-b77eb07ad61e288eeb19Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-fb79dac6c46f730fb465Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1930000000-a6412a87698303834034Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-31830c983339c0e0d918Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-1028986b8e3b82b4bf96Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-0c2338f41998da54e8c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fdx-0890000000-48e88a1c67f0fc25384fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f6x-0940000000-ce56b132903858bd3b6bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1930000000-b61e92cac5094920cf32Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-e26e1398541d17b6632eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f7c-0590000000-541488ae806b0dbd97cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-4d1f9651cdfcc7b3eda7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0290000000-d6f262c29a34d822e0bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-2b62dea3c793e2686145Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-a55f8538b17bcc2d6bc7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-b867d84dd13d808b9cc2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fdx-0890000000-d330c0b3a2ed0d954d85Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-21a5145efeed1aed7897Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-937c5e9d2ccbb2506024Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f7c-0590000000-c0ce02587f541c9c0871Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-60c0d7db709ae53db7f1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0950000000-75e652357625d9262de6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-a00bc52acf89795aeb79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0290000000-890c266b53f1ab4a92b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-de54abe786bc9e5b3bbdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0490000000-0638fd02e8a071beb0e1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-361080c7a7af7a4f5355Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0490000000-b9699b360e73efbe2aabNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-930ab710e10ac5ecb8b3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0490000000-546489fb8e622ebad47aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0950000000-6985cdfb06a67aab4a5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1930000000-275605cf63c41112d254Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-4d1b4bd8bd0d8e18b160Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0940000000-f9edf728a4c0b3212181Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f6x-0940000000-c156a8dcd1837754afe2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fdx-0890000000-3fd8e1486ecc8ea708c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-1930000000-95ecf6ebdc6c018350a7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0590000000-966c33dbc1084672cee7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-695f91d3d5f2e1902be3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-31830c983339c0e0d918Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-a2271f7d185153cfe5a5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-2608ad21c047ca512f66Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-06522b5dc95bacd1c14bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-cf1aeeece997dc45e676Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-a82533f29e9cb01fa7fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-79bbd4209063f20101f8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-8970000000-5c77f50a4816eecfef04Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-5a624d4584e17376f63cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-31d6bb00202f2493ec8dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pb9-9070000000-364b9c313a672f653207Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-467b34577c9cf5fb314aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-798e5f875472f4ba91ebNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00nf-2690000000-308ffd3ec5405b33da78Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-ccaa52cef887c66f191bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-634befa27f8e1e5983d5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3090000000-a8bab8e5bd635b55c43aNot AvailableView Spectrum
MSMS Spectrumsplash10-0a59-2490000000-41352db33c43d0b96876Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1200.0 mg/kg ratLD50oralexperimentalNot Available9
1000.0 mg/kg dogLD50oralexperimentalNot Available9
700.0 mg/kg miceLD50oralexperimentalNot Available9
637.0 Log mg/kg [360:1100]RatLD50oralpredictedNot AvailableNot Available
100.0 mg/L RatLOELenvironmentalexperimentalNot AvailableECOTOX - EPA ORD
0.31 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.47 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
2.5 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
1.25 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
7.5 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
7.5 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
5.0 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
2.5 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
2.5 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
5.0 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (6)
Minimum Risk LevelNot Available
SymptomsSymptoms of overdose include somnolence, confusion, coma, and diminished reflexes. Respiration, pulse and blood pressure should be monitored.
TreatmentGeneral supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil, a specific benzodiazepine receptor antagonist, is indicated for the complete or partial reversal of the sedative effects of benzodiazepines and may be used in situations when an overdose with a benzodiazepine is known or suspected. (8)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
low birth weightAssociated With?Not AvailableLow birthweight is when a baby is born weighing less than 2500 grams (5 pounds, 8 ounces). Some low-birthweight babies are healthy, but others have serious health problems that need treatment. Premature birth (before 37 weeks of pregnancy) and fetal growth restriction are the most common causes of low birthweight. babies with low birth weight look much smaller than babies of normal birth weight. A low-birth-weight baby's head may look bigger than the rest of his or her body. He or she often looks thin with little body fat.PMC12987490
insomniaNot AvailableNot AvailableA disorder characterized by difficulty in falling asleep and/or remaining asleep. (NCI CTCAE)PMC4127195
anxietyNot AvailableNot AvailableA disorder characterized by apprehension of danger and dread accompanied by restlessness, tension, tachycardia, and dyspnea unattached to a clearly identifiable stimulus. (NCI CTCAE)PMC9899055
seizureNot AvailableNot AvailableNot AvailablePMC6839762 , PMC8352350
seizureHas Therapeutic Effect OnNot AvailableNot AvailablePMC9513985 , PMC13149591
liver diseaseAssociated With?decreaseA disorder characterized by any variety of factors leading to damage to the liver.PMC5976489
diseaseNot AvailableNot AvailableNot AvailablePMC8533377
EndometriosisNot AvailableNot AvailableEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC6720215
dystoniaNot AvailableNot AvailableA movement disorder characterized by sustained or intermittent muscle contractions, resulting in abnormal movements and/or postures.PMC10154364
status epilepticusNot AvailableNot AvailableNot AvailablePMC7550371
anxiety disorderNot AvailableNot AvailableNot AvailablePMC4127195 , PMC13397993
convulsionNot AvailableNot AvailableNot AvailablePMC12557714 , PMC12557714
CognitionAssociated With?Not AvailableNot AvailablePMC6205722
lung non-small cell carcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC5192181
atactic disorder, non-human animalAssociated With?Not AvailableNot AvailablePMC9810330
hereditary angioedemaNot AvailableNot AvailableNot AvailablePMC6720215
Focal-onset seizureNot AvailableNot AvailableNot AvailablePMC6465021
breast diseaseNot AvailableNot AvailableNot AvailablePMC6720215
alcohol withdrawalNot AvailableNot AvailableNot AvailablePMC4127195
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC8667618 , PMC8667618
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC8667618
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC8667618 , PMC12158053
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC12158053
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000375Anxiolytics?Anxiolytics are a class of medications primarily used to alleviate anxiety and related disorders.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC10457822 , PMC12158053
CEDs000483WWTP effluent?Wastewater treatment plant (WWTP) effluent can serve as a significant source of synthetic chemical contamination in the environment.Wastewater, sanitation & biosolidsPMC12707372
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
CEDs000498Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.Building & ConstructionPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000528Microphones?Microphones, as components in various electronic devices, can be sources of synthetic chemical contamination due to the materials used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000534Still Video Cameras?Still video cameras, which capture images in digital format, can be a source of synthetic chemical contamination due to the materials and components used in their production and operation.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000564Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.Household cleaning & consumer productsPubChem
CEDs000566Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000568Tobacco Product Moisture Control?Tobacco product moisture control involves the use of synthetic chemicals to manage the humidity levels in tobacco products, aiming to preserve flavor and extend shelf life.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000570Badges?Badges, often used for identification or decorative purposes, can be made from various synthetic materials including plastics, metals, and coatings.Household itemsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000584Buoys?Buoys, often used for navigation and marine monitoring, can be sources of synthetic chemical contamination due to the materials and coatings employed in their construction.Marine, shipping & aquaculturePubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000601Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000620Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.Recreation & sports surfacesPubChem
CEDs000625Racing Sports?Racing sports often utilize synthetic surfaces, such as polyurethane or rubberized tracks, to enhance performance and safety.Recreation & sports surfacesPubChem
CEDs000627Roulette Games?Roulette games, often played on synthetic surfaces like those found in recreational facilities, can be associated with various synthetic chemical contaminants.Recreation & sports surfacesPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000672Light Than Air Aircraft?Light than air aircraft, such as dirigibles and airships, utilize lifting gases like helium or hydrogen for buoyancy.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000674Bridle Bits?Bridle bits, commonly used in equestrian activities, can be a source of synthetic chemical contamination primarily through the materials used in their manufacturing.Agriculture & land managementPubChem
CEDs000677Horse Reins?Horse reins, often made from synthetic materials such as nylon or polyester, can be a source of chemical contamination due to their production and degradation processes.Agriculture & land managementPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000697Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.Marine, shipping & aquaculturePubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000705Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000706Bookmarkers?Bookmarkers, often made from paper or cardstock, can be a source of synthetic chemical contamination due to the use of various inks, coatings, and adhesives in their production.Paper, pulp & fiber productsPubChem
CEDs000707Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.Paper, pulp & fiber productsPubChem
CEDs000708Carving Engraving Or Guilloching Tools?Carving, engraving, or guilloching tools are often used in the production of intricate designs on surfaces, particularly in the processing of materials such as paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000709Carving Tools?Carving tools used in the processing of materials can become a source of synthetic chemical contamination through the residues and lubricants applied during manufacturing.Paper, pulp & fiber productsPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000719Ink Reservoir Pens?Ink reservoir pens are writing instruments that contain a reservoir filled with ink, often made from synthetic dyes and solvents.Paper, pulp & fiber productsPubChem
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000729Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000736Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.Electrical & Electronic EquipmentPubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00878Soil MicrocosmsAgriculture & land managementPMC8667618
CEDs01081TabletsHealthcare, pharmaceuticals & veterinary productsPMC11819723 , PMC6955736
CEDs01108SyringesHealthcare, pharmaceuticals & veterinary productsPMC4859544
CEDs01119Tablet FormulationsHealthcare, pharmaceuticals & veterinary productsPMC6955736
CEDs01148MilkFood, food processing & cookwarePMC13318911
CEDs01210Food SupplementsFood, food processing & cookwarePMC9818512
CEDs01349Food of Animal OriginFood, food processing & cookwarePMC9387093
CEDs02227Raw WaterDrinking water & water supplyPMC10457822
CEDs02255WaterAquatic systems & sedimentsPMC8667618 , PMC5306312
CEDs02264SedimentAquatic systems & sedimentsPMC8667618 , PMC8667618
CEDs02268Water SamplesAquatic systems & sedimentsPMC8667618
CEDs02270RiverAquatic systems & sedimentsPMC12158053
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC7908579 , PMC9387093
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC7908579 , PMC12158053
CEDs03017SludgeWastewater, sanitation & biosolidsPMC12158053
CEDs03021Wastewater Treatment PlantWastewater, sanitation & biosolidsPMC11958392
CEDs03023Effluent SamplesWastewater, sanitation & biosolidsPMC7908579
CEDs03073Treated WastewaterWastewater, sanitation & biosolidsPMC7408029
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansKnownNot Available
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansKnownNot Available
Click to view 3D structureTranslocator proteinP30535Bos taurusPredicted (SEA)
Prediction Confidence Score
0.561
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansPredicted (SEA)
Prediction Confidence Score
0.471
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
43
E-value
0.0778492
Gamma-aminobutyric acid receptor subunit alpha-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-3P34903HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
13
E-value
0.0778492
Gamma-aminobutyric acid receptor subunit alpha-5 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-5P31644HumansPredicted (SEA)
Prediction Confidence Score
0.438
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
14
E-value
0.233548
Click to view 3D structureTranslocator proteinP16257Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.437
Applicability Domain
1.0
Statistical Significance
1.70e-04
Supporting Reference Compounds
34
E-value
1.32344
Gamma-aminobutyric acid receptor subunit alpha-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-2P47869HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
14
E-value
0.233548
Gamma-aminobutyric acid receptor subunit alpha-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-3P20236Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
1.0
Statistical Significance
0.006
Supporting Reference Compounds
201
E-value
47.0209
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-5P19969Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
1.0
Statistical Significance
0.0012
Supporting Reference Compounds
40
E-value
9.41976
Aldo-keto reductase family 1 member C1 structureClick to view 3D structureAldo-keto reductase family 1 member C1Q04828HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
1.0
Statistical Significance
6.20e-04
Supporting Reference Compounds
29
E-value
4.82665
Fatty acid-binding protein, liver structureClick to view 3D structureFatty acid-binding protein, liverP02692Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
13
E-value
0.311397
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.382
Statistical Significance
0.0154
Supporting Reference Compounds
55
E-value
120.277
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P62813Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
6
E-value
0.0778492
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-2P23576Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
7
E-value
0.0778492
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.433
Statistical Significance
0.0475
Supporting Reference Compounds
532
E-value
369.94
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.433
Statistical Significance
0.0475
Supporting Reference Compounds
427
E-value
369.862
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.382
Statistical Significance
0.1184
Supporting Reference Compounds
1498
E-value
921.968
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.58
Statistical Significance
0.0166
Supporting Reference Compounds
237
E-value
129.23
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.407
Statistical Significance
0.1811
Supporting Reference Compounds
1538
E-value
1409.62
Click to view 3D structureCholecystokinin receptor type AP30551Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.328
Statistical Significance
0.0143
Supporting Reference Compounds
30
E-value
111.402
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.309
Statistical Significance
0.0913
Supporting Reference Compounds
955
E-value
710.686
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.339
Statistical Significance
0.0849
Supporting Reference Compounds
793
E-value
661.329
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.304
Statistical Significance
0.1076
Supporting Reference Compounds
1103
E-value
838.047
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.433
Statistical Significance
0.0418
Supporting Reference Compounds
199
E-value
325.565
Axin-2 structureClick to view 3D structureAxin-2Q9Y2T1HumansKnownNot Available
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansKnownNot Available
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit beta-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-3P28472HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit alpha-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-2P47869HumansKnownBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Gamma-aminobutyric acid receptor subunit alpha-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-3P34903HumansKnownBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansKnownBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Click to view 3D structureTranslocator proteinP30536HumansKnownBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Gamma-aminobutyric acid receptor subunit alpha-5 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-5P31644HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-6Q16445HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit beta-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-1P18505HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit beta-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-2P47870HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit delta structureClick to view 3D structureGamma-aminobutyric acid receptor subunit deltaO14764HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit epsilonP78334HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit gamma-1Q8N1C3HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit gamma-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit gamma-2P18507HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit gamma-3Q99928HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit pi structureClick to view 3D structureGamma-aminobutyric acid receptor subunit piO00591HumansKnownNot Available
Gamma-aminobutyric acid receptor subunit rho-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit rho-1P24046HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit rho-2P28476HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit rho-3A8MPY1HumansKnownNot Available
Click to view 3D structureGamma-aminobutyric acid receptor subunit thetaQ9UN88HumansKnownNot Available
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansKnownNot Available
Cholecystokinin receptor type A structureClick to view 3D structureCholecystokinin receptor type AP32238HumansKnownNot Available
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Concentrations
StatusValueUnitSample LocationReference
Detected and Quantified20ng/LBioggio,Lugano
External Links
DrugBank IDDB00829
HMDB IDHMDB0014967
FooDB IDFDB007103
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDDZP
Wikipedia LinkDiazepam
Chemspider ID2908
ChEBI ID49575
PubChem Compound ID3016
Kegg Compound IDC06948
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

Chase, G.; U.S. Patent 3,102,116; August 27, 1963; assigned to Hoffmann-La Roche Inc. Reeder, E. and Sternbach, L.H.; U.S. Patent 3,109,843; November 5, 1963; assigned to
Hoffmann-La Roche lnc.
Reeder, E. and Sternbach, L.H.; U.S. Patent 3,136,815; June 9, 1964; assigned to Hoffmann-
La Roche Inc.
Reeder, E. and Sternbach, L.H.; US. Patent 3,371,085; February 27, 1968; assigned to
Hoffmann-La Roche Inc.

MSDSLink
General References
  1. Mant A, Whicker SD, McManus P, Birkett DJ, Edmonds D, Dumbrell D: Benzodiazepine utilisation in Australia: report from a new pharmacoepidemiological database. Aust J Public Health. 1993 Dec;17(4):345-9. [PubMed: 7911332]
  2. Oishi R, Nishibori M, Itoh Y, Saeki K: Diazepam-induced decrease in histamine turnover in mouse brain. Eur J Pharmacol. 1986 May 27;124(3):337-42. [PubMed: 3089825]
  3. Earley JV, Fryer RI, Ning RY: Quinazolines and 1,4-benzodiazepines. LXXXIX: Haptens useful in benzodiazepine immunoassay development. J Pharm Sci. 1979 Jul;68(7):845-50. [PubMed: 458601]
  4. Usami N, Yamamoto T, Shintani S, Ishikura S, Higaki Y, Katagiri Y, Hara A: Substrate specificity of human 3(20)alpha-hydroxysteroid dehydrogenase for neurosteroids and its inhibition by benzodiazepines. Biol Pharm Bull. 2002 Apr;25(4):441-5. [PubMed: 11995921]
  5. McLean MJ, Macdonald RL: Benzodiazepines, but not beta carbolines, limit high frequency repetitive firing of action potentials of spinal cord neurons in cell culture. J Pharmacol Exp Ther. 1988 Feb;244(2):789-95. [PubMed: 2450203]
  6. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
  7. Drugs.com - http://www.drugs.com/cons/Diazepam.html
  8. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/
  9. IPCS Inchem monograph for Diazepam - http://www.inchem.org/documents/pims/pharm/pim181.htm