4-Dimethylaminoantipyrine (CED0006560)

Record Information
Version1.0
Creation Date2016-05-22 03:26:23 UTC
Update Date2026-08-19 01:00:19 UTC
SynCED IDCED0006560
Secondary Accession Numbers
  • CHEM016293
Identification
Common Name4-Dimethylaminoantipyrine
ClassSmall Molecule
Description
4-Dimethylaminoantipyrine (C13H17N3O) is an organic compound with an average molecular weight of 231.29 g/mol. 4-Dimethylaminoantipyrine belongs to the pyrazoles, a subclass of azoles within the organic compounds. This compound is identified in or released from 13 recorded sources across several categories. Within the realm of electrical and electronic equipment, it is associated with antennas, conductors or conductive bodies characterised by the conductive materials, electric switches, electrically stimulated smoking devices, electrodes, and two additional sources. In the context of food, food processing and cookware, it is found in food contact materials and food preservation. It is also recorded in building and construction materials, specifically floors and roofs, as well as in household items such as coins. Additionally, the compound is present in drinking water and water supply systems. Recorded routes of exposure to 4-Dimethylaminoantipyrine include inhalation, oral ingestion, and touch.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
(Dimethylamino)phenazoneChEBI
1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazoloneChEBI
1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazoloneChEBI
1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-oneChEBI
2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazoloneChEBI
3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazoleChEBI
4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-oneChEBI
4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneChEBI
4-(Dimethylamino)antipyrineChEBI
4-Dimethylamino-1-phenyl-2,3-dimethylpyrazoloneChEBI
4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-oneChEBI
4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazoloneChEBI
4-DimethylaminoantipyrineChEBI
4-DimethylaminophenazoneChEBI
AminofenazonaChEBI
AminofenazoneChEBI
AminophenazonChEBI
AminophenazonumChEBI
AminopyrineChEBI
DimethylaminoantipyrineChEBI
DimethylaminoazopheneChEBI
DimethylaminophenazonChEBI
DimethylaminophenazoneChEBI
DimethylaminophenyldimethylpyrazoloneChEBI
DipyrineChEBI
AmidophenHMDB
AmidophenazonHMDB
Aminophenazone berlin-chemie brandHMDB
Berlin-chemie brand OF aminophenazoneHMDB
Dimethyl-N-aminoantipyrineHMDB
Berlin chemie brand OF aminophenazoneHMDB
Dimethyl N aminoantipyrineHMDB
EufibronHMDB
AmidazophenHMDB
AmidopyrineHMDB
Chemical FormulaC13H17N3O
Average Molecular Mass231.294 g/mol
Monoisotopic Mass231.137 g/mol
CAS Registry Number58-15-1
IUPAC Name4-(dimethylamino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Traditional Nameaminophenazone
SMILESCN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChI KeyRMMXTBMQSGEXHJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassPyrazoles
Direct ParentPhenylpyrazoles
Alternative Parents
Substituents
  • Phenylpyrazole
  • Tertiary aliphatic/aromatic amine
  • Dialkylarylamine
  • Monocyclic benzene moiety
  • Pyrazolinone
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Tertiary amine
  • Azacycle
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility22.5 g/LALOGPS
logP0.94ALOGPS
logP1.15ChemAxon
logS-1ALOGPS
pKa (Strongest Basic)3.47ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.79 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity70.11 m³·mol⁻¹ChemAxon
Polarizability25.87 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-053s-9250000000-c3308b81b44067a47f7eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9100000000-40e7051a3536ae680d1aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-053s-9250000000-c3308b81b44067a47f7eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0a4i-9100000000-40e7051a3536ae680d1aNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0159-4970000000-8cb60fc41366bf1c7f80Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-49de43a88698c1df262bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0190000000-d7bfbe39ac8d423c5cfdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03e9-4940000000-243b2713c256a2ab8b6cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-9700000000-3ef4e69c38623bfd699fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06r2-9300000000-762e3df6382a5e2052a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0592-9100000000-b9c175ecf48888c0267aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9100000000-9fa64e7904c1473d9d32Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0290000000-27bac0f1542859b73671Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03e9-4940000000-a4c3f3e347d595ad803eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-9700000000-ac217c24c44682808465Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xt-9300000000-f8259f5a45014efc58eeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052b-9100000000-307762c9c387df2fcbf4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9100000000-3c5267564fda210cc134Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-ab951ea405c6154ef630Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-2527cae3cd95916624e4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-3910000000-f7ee26001f3fbe463baeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01vk-9400000000-243fad64356c2d2c4864Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0592-9100000000-bbc78ee3e540bd560a88Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0aba-9000000000-1c4e7d6f8c8bbdc08335Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-1900000000-82e0b1220cb4b6d7a2cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ot-9600000000-fb0b4ca3e97bcda1fda4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-9200000000-2d261a76cbc47734fb79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-3a05afb5d5b85cbb3974Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-16e77429b30962ec17d5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01q9-2950000000-72b3f0db0bdfe8167deaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9000000000-ec078cdbab544ab1e642Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9100000000-2c7e9ff784fa4ca305c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0190000000-2d556c3b2cfafce8fadfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03e9-4940000000-71a3b17d35250f08d7cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-69bc620bf697270ed208Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lr-0900000000-2b6a28a574b966d6d2e4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9100000000-2937c7d246302f7fe2adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052b-9100000000-a315cc610d00b2573f43Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-2dcf2c94f200d2a703b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-9700000000-9bc7ecb9a05d6a69222cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-9200000000-ccb6ae886f52573a21bfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-0a0f608168af260314deNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xt-9300000000-298387944ea687c627a2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4j-9100000000-466fc98faadd3c7d18daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0592-9100000000-c9710c11e4f7e0e73c68Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0190000000-1e1d6c94f650599ab63fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03e9-4940000000-e3dd47dc92be5ff3111dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dr-1900000000-f95c19a48beaff46bbceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ot-9600000000-fb0b4ca3e97bcda1fda4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06r2-9300000000-b589f45b6c1fe419cd69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001r-0590000000-2684c1d4647fd92aaa78Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lr-0900000000-bd55d22ac5419423fb79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-069s-0910000000-bc7018c9087b2b0cb43dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-ed5d68a7364b16af0028Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dj-9700000000-75f57399757dda90a306Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0930000000-3d67a888926b8ca13db9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-f6e97d92a16be669db10Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0560-0940000000-ccde8d9a4f09b0bad478Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-a48ba01f29052db8a478Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-2930000000-9ae2402c137ca888fc6eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ur-0900000000-4e684cc883ef5b69ea2eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-78e619fd95eaeb1916d0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-2528f6be802f63b265d6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-5900000000-bb8da80de2db7a79878dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06xt-9400000000-94d4b45798516eeec485Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0910000000-039df8c522f606905ca9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-0896fba0b89cb8cb6ff5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-2390000000-eaa608d1cc64b37d59dfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9100000000-db54dcd1f4d6da575bf1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-3920000000-00258f4a6df2920817ccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f8i-5790000000-dd0fbe214d13e5ebfde8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00l6-9300000000-18386f94d530fc45afc1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-c50a53759f3aeec8149cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-4fce6e99f7c231fc6fb7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9110000000-88b0e1adfa5a4d339574Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-7e54db03d15d392a0e3dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0190000000-3efd239c8c8408a57572Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-9410000000-9e1e52cd248c4abee344Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
237.0 Log mg/kg [130:420]RatLD50oralpredictedNot AvailableNot Available
0.5 mmol/kg MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
neuralgiaNot AvailableNot AvailableNot AvailablePMC7060083
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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
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
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
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
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
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
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
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
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
CEDs000571Coins?Coins can serve as a source of synthetic chemical contamination due to their production processes and the materials used in their composition.Household itemsPubChem
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
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000594Ship Hulls?Ship hulls are often treated with various synthetic chemicals to enhance durability, prevent corrosion, and inhibit the growth of marine organisms.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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
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
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.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
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.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
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
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
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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01210Food SupplementsFood, food processing & cookwarePMC9818512
CEDs02255WaterAquatic systems & sedimentsPMC5788896
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSterol 24-C-methyltransferaseO74198Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.368
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
L,D-transpeptidase 2 structureClick to view 3D structureL,D-transpeptidase 2I6Y9J2Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Sulfhydryl oxidase 1 structureClick to view 3D structureSulfhydryl oxidase 1O00391HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
YTH domain-containing family protein 1 structureClick to view 3D structureYTH domain-containing family protein 1Q9BYJ9HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.438
Statistical Significance
0.0141
Supporting Reference Compounds
130
E-value
109.456
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0061
Supporting Reference Compounds
105
E-value
47.3323
fMet-Leu-Phe receptor structureClick to view 3D structurefMet-Leu-Phe receptorP21462HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.352
Statistical Significance
0.0103
Supporting Reference Compounds
42
E-value
80.4182
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0339
Supporting Reference Compounds
215
E-value
264.22
Click to view 3D structureMannose-6-phosphate isomeraseP34949HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
53
E-value
11.1324
Click to view 3D structurePhosphoethanolamine/phosphocholine phosphataseQ8TCT1HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
7.20e-04
Supporting Reference Compounds
24
E-value
5.60514
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.292 Low confidence
Statistical Significance
0.2288
Supporting Reference Compounds
934
E-value
1781.11
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.292 Low confidence
Statistical Significance
0.2393
Supporting Reference Compounds
785
E-value
1862.78
Click to view 3D structureHexokinaseQ38C41Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
17
E-value
8.71911
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0902
Supporting Reference Compounds
425
E-value
702.278
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.35
Statistical Significance
0.169
Supporting Reference Compounds
532
E-value
1315.81
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.288 Low confidence
Statistical Significance
0.109
Supporting Reference Compounds
380
E-value
848.401
Pyruvate carboxylase structureClick to view 3D structurePyruvate carboxylaseA0A0H3JRU9Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.7135
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2408
Supporting Reference Compounds
553
E-value
1874.45
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.265 Low confidence
Statistical Significance
0.1632
Supporting Reference Compounds
528
E-value
1270.42
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1599
Supporting Reference Compounds
307
E-value
1244.89
Synaptojanin-1 structureClick to view 3D structureSynaptojanin-1O43426HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0049
Supporting Reference Compounds
60
E-value
38.3018
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.288 Low confidence
Statistical Significance
0.2773
Supporting Reference Compounds
953
E-value
2158.76
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.265 Low confidence
Statistical Significance
0.1929
Supporting Reference Compounds
541
E-value
1501.63
DNA dC->dU-editing enzyme APOBEC-3G structureClick to view 3D structureDNA dC->dU-editing enzyme APOBEC-3GQ9HC16HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0059
Supporting Reference Compounds
76
E-value
45.8532
Concentrations
Not Available
External Links
DrugBank IDDB01424
HMDB IDHMDB0015493
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00039051
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAminophenazone
Chemspider ID5787
ChEBI ID160246
PubChem Compound ID6009
Kegg Compound IDC07539
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available