Propachlor (CED0014318)

Record Information
Version1.0
Creation Date2009-06-18 21:54:34 UTC
Update Date2026-08-18 10:04:19 UTC
SynCED IDCED0014318
Secondary Accession Numbers
  • CHEM000932
  • T3D1090
Identification
Common NamePropachlor
ClassSmall Molecule
Description
Propachlor is an exogenous organic compound with the formula C11H14ClNO and an average molecular weight of 211.69 g/mol. It exists as a solid at room temperature. Propachlor belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is utilized as a herbicide and biocide, and it is also identified as an industrial degradant or impurity. The compound is released from 22 recorded sources, including drinking water and water supply. Other sources include building and construction materials such as roofs, floors, and fencing; food processing activities including the processing of meats, processing of fish, food preservation, and the treatment of molasses; and household cleaning and consumer products such as soap detergents, perfumes within detergents and soaps, tobacco pipes, tobacco smoke filters, and pipe accessories. It is also found in electrical and electronic equipment, specifically electric switches, coils, antennas, and conductive bodies characterized by conductive materials, as well as cores, yokes, or armatures. The recorded exposure route for propachlor is oral. Propachlor interacts with 17 recorded protein targets. It binds to and inhibits the estrogen receptor (ESR1 and ESR2), causing endocrine disruption in humans. Its metabolites bind to neuronal acetylcholine receptors in the nervous system, including subunits alpha-3 (CHRNA3), alpha-4 (CHRNA4), alpha-7 (CHRNA7), and beta-4 (CHRNB4). Other targets include the androgen receptor (AR), aromatase (CYP19A1), peroxisome proliferator-activated receptor gamma (PPARG), and translocator protein (TSPO). Propachlor poisoning induces microsomal hepatic UDPGT activity, which increases the clearance of thyroid hormone T4. This leads to decreased T4 levels and subsequently increased levels of thyroid stimulating hormone (TSH), resulting in a hyperplastic and eventually tumorigenic thyroid response.
Contaminant Type
  • Amide
  • Amine
  • Aromatic Hydrocarbon
  • Chloroacetanilide
  • Food Toxin
  • Household Toxin
  • Lachrymator
  • Organic Compound
  • Organochloride
  • Pesticide
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
2-Chloro-N-(1-methylethyl)-N-phenylacetamideChEBI
2-Chloro-N-isopropylacetanilideChEBI
alpha-Chloro-N-isopropylacetanilidChEBI
alpha-Chloro-N-isopropylacetanilideChEBI
Bexton 4lChEBI
Chloressigsaeure-N-isopropylanilidChEBI
Kartex aChEBI
N-Isopropyl-2-chloroacetanilideChEBI
N-Isopropyl-alpha-chloroacetanilideChEBI
NitacidChEBI
NiticidChEBI
PropachloreChEBI
Ramrod 65ChEBI
a-Chloro-N-isopropylacetanilidGenerator
Α-chloro-N-isopropylacetanilidGenerator
a-Chloro-N-isopropylacetanilideGenerator
Α-chloro-N-isopropylacetanilideGenerator
N-Isopropyl-a-chloroacetanilideGenerator
N-Isopropyl-α-chloroacetanilideGenerator
RamrodMeSH
Chemical FormulaC11H14ClNO
Average Molecular Mass211.688 g/mol
Monoisotopic Mass211.076 g/mol
CAS Registry Number1918-16-7
IUPAC Name2-chloro-N-phenyl-N-(propan-2-yl)acetamide
Traditional Namepropachlor
SMILESCC(C)N(C(=O)CCl)C1=CC=CC=C1
InChI IdentifierInChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI KeyMFOUDYKPLGXPGO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassAnilides
Direct ParentAnilides
Alternative Parents
Substituents
  • Anilide
  • Tertiary carboxylic acid amide
  • Chloroacetamide
  • Carboxamide group
  • Carboxylic acid derivative
  • Alkyl chloride
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Alkyl halide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceTan colored solid (3).
Experimental Properties
PropertyValue
Melting Point77°C
Boiling PointNot Available
Solubility0.58 mg/mL at 25°C [TOMLIN,C (2003)]
Predicted Properties
PropertyValueSource
Water Solubility0.9 g/LALOGPS
logP2.15ALOGPS
logP2.39ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)16.77ChemAxon
pKa (Strongest Basic)-6.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity57.96 m³·mol⁻¹ChemAxon
Polarizability22.23 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0290000000-da11b3222d706a02dfe7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03g3-7940000000-a10637ad8a5ebc7fef45Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9400000000-114803c0ca629c537684Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0190000000-576d2ca4d049d13fc916Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03l0-3930000000-eed3c442fec29edf39cbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01bc-5900000000-eb6bc0115b33d5713836Not AvailableView Spectrum
MSMS Spectrumsplash10-00fu-9800000000-69e4f77c90a296affd73Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
950.0 mg/kg [950:2176]RatLD50OralexperimentalNot Available3
3580.0 mg/m3 RatLC50InhalationexperimentalNot Available4
380.0 mg/kg RabbitLD50DermalexperimentalNot Available4
782.0 Log mg/kg [440:1400]RatLD50oralpredictedNot AvailableNot Available
140.0 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system and cause endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (6, 2, 10)
Carcinogenicity (IARC Classification)Not listed by IARC.
Minimum Risk LevelNot Available
SymptomsIrritation and/or severe burns of the skin, eye, esophagus or gastrointestinal tract, and the respiratory tract, depending on the route of exposure. (7)
TreatmentConsider gastric lavage, as well was dilution with milk or water after ingestion. Administer charcoal as a slurry following ingestion; however, activated charcoal should not be given to patients ingesting strong acidic or basic caustic chemicals. In case of inhalation, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. Irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. Treat dermal irritation or burns with standard topical therapy. Patients developing dermal hypersensitivity reactions may require treatment with systemic or topical corticosteroids or antihistamines. Administer symptomatic treatment as necessary. (7)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
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 managementPMC9909819 , PMC9909819
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 supplyNot Available
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
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC9909819 , PMC9909819
CEDs000496Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.Building & ConstructionPubChem
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
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.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
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
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
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
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
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
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.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
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
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
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
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
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000590Lifeboat Equipment?Lifeboat equipment typically includes various synthetic materials used in the construction of life rafts, flotation devices, and safety gear.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
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.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
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
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
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.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
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
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
CEDs000661Umbrellas?Umbrellas are commonly manufactured using synthetic materials such as polyester, nylon, and polyvinyl chloride (PVC), which can contribute to synthetic chemical contamination.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
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
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
CEDs000682Traction Harness?Traction harnesses, commonly used in agricultural practices for animals and machinery, can be a source of synthetic chemical contamination through the materials used in their production.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
CEDs000695Treatment Of Milk Or Cream?The treatment of milk or cream involves various processes such as pasteurization, homogenization, and the addition of preservatives to enhance shelf life and safety.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
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
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
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
CEDs000733Walking Sticks?Walking sticks, while primarily designed for mobility assistance, can be sources of synthetic chemical contamination if not properly manufactured or maintained.Healthcare, pharmaceuticals & veterinary productsPubChem
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
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
CEDs00846Soil ColumnsAgriculture & land managementPMC9909819
CEDs00847Soil ColumnAgriculture & land managementPMC9909819
CEDs00891Soil LayerAgriculture & land managementPMC9909819
CEDs01017Soil MediumAgriculture & land managementPMC9909819 , PMC9909819
CEDs01080CapsuleHealthcare, pharmaceuticals & veterinary productsPMC10572548
CEDs01291Wheat SeedlingsFood, food processing & cookwarePMC9909819 , PMC9909819
CEDs01422Wheat PlantsFood, food processing & cookwarePMC9909819
CEDs01682Wheat CropsFood, food processing & cookwarePMC9909819
CEDs02255WaterAquatic systems & sedimentsPMC9909819 , PMC9909819
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.475
Statistical Significance
6.40e-04
Supporting Reference Compounds
296
E-value
4.98235
E3 ubiquitin-protein ligase RNF4 structureClick to view 3D structureE3 ubiquitin-protein ligase RNF4P78317HumansPredicted (SEA)
Prediction Confidence Score
0.383
Applicability Domain
0.383
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.442
Statistical Significance
7.80e-04
Supporting Reference Compounds
166
E-value
6.07224
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.475
Statistical Significance
0.0657
Supporting Reference Compounds
1022
E-value
511.547
Click to view 3D structureProtein-glutamine gamma-glutamyltransferaseQ7M0F8Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.372
Statistical Significance
2.50e-04
Supporting Reference Compounds
2
E-value
1.94623
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.438
Statistical Significance
0.0146
Supporting Reference Compounds
215
E-value
113.971
Click to view 3D structure3-ketoacyl-CoA synthase 18Q38860Arabidopsis thalianaPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.333
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.327
Statistical Significance
0.0698
Supporting Reference Compounds
527
E-value
543.543
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.342
Statistical Significance
0.0646
Supporting Reference Compounds
562
E-value
502.595
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.327
Statistical Significance
0.0453
Supporting Reference Compounds
229
E-value
352.579
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.333
Statistical Significance
0.0129
Supporting Reference Compounds
226
E-value
100.737
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.333
Statistical Significance
0.0129
Supporting Reference Compounds
227
E-value
100.737
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.327
Statistical Significance
0.0455
Supporting Reference Compounds
229
E-value
354.603
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.311
Statistical Significance
0.0745
Supporting Reference Compounds
427
E-value
579.821
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0412
Supporting Reference Compounds
176
E-value
321.05
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0634
Supporting Reference Compounds
400
E-value
493.486
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0455
Supporting Reference Compounds
258
E-value
354.525
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0594
Supporting Reference Compounds
292
E-value
462.347
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.311
Statistical Significance
0.0932
Supporting Reference Compounds
532
E-value
725.321
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.333
Statistical Significance
0.0498
Supporting Reference Compounds
332
E-value
387.845
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.32
Statistical Significance
0.0094
Supporting Reference Compounds
35
E-value
73.2561
Glutathione S-transferase omega-1 structureClick to view 3D structureGlutathione S-transferase omega-1P78417HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.323
Statistical Significance
2.40e-04
Supporting Reference Compounds
10
E-value
1.86838
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0446
Supporting Reference Compounds
200
E-value
346.974
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.311
Statistical Significance
0.2657
Supporting Reference Compounds
1498
E-value
2068.84
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0497
Supporting Reference Compounds
269
E-value
386.755
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-10Q9GZZ6HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit alpha-3 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-3P32297HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit alpha-4 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-4P43681HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-5P30532HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-6Q15825HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit alpha-9 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-9Q9UGM1HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit beta-2 structureClick to view 3D structureNeuronal acetylcholine receptor subunit beta-2P17787HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit beta-3 structureClick to view 3D structureNeuronal acetylcholine receptor subunit beta-3Q05901HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Neuronal acetylcholine receptor subunit beta-4 structureClick to view 3D structureNeuronal acetylcholine receptor subunit beta-4P30926HumansKnownPropachlor poisoning causes an induction of microsomal hepatic UDPGT activity, which produces increased clearance of thyroid hormone, T4. Decreased levels of T4 would result in increased levels of thyroid stimulating hormone (TSH). Increased levels of TSH would result in the hyperplastic and eventually tumorigenic response of the thyroid. Propachlor metabolites also bind to nAChRs in the nervous system. (T10, A570).
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownCauses endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansKnownCauses endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansKnownNot Available
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansKnownNot Available
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Click to view 3D structureTranslocator proteinP30536HumansKnownNot Available
Aromatase structureClick to view 3D structureAromataseP11511HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPropachlor
Chemspider IDNot Available
ChEBI ID19503
PubChem Compound ID4931
Kegg Compound IDC18759
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Osano O, Admiraal W, Klamer HJ, Pastor D, Bleeker EA: Comparative toxic and genotoxic effects of chloroacetanilides, formamidines and their degradation products on Vibrio fischeri and Chironomus riparius. Environ Pollut. 2002;119(2):195-202. [PubMed: 12152826]
  2. Belyaeva OV, Kedishvili NY: Comparative genomic and phylogenetic analysis of short-chain dehydrogenases/reductases with dual retinol/sterol substrate specificity. Genomics. 2006 Dec;88(6):820-30. Epub 2006 Jul 24. [PubMed: 16860536]
  3. International Programme on Chemical Safety (IPCS) INCHEM (1992). Propachlor Health and Safety Guide. - http://www.inchem.org/documents/hsg/hsg/hsg77_e.htm
  4. IPCS Intox Database (1987). Propachlor. - http://www.intox.org/databank/documents/chemical/propach/pest78_e.htm
  5. International Programme on Chemical Safety (IPCS) (1993). Environmental Health Criteria 147: Propachlor. IPCS under the joint sponsorship of the United Nations Environment Programme, the International Labour Organisation and the World Health Organization. - http://www.inchem.org/documents/ehc/ehc/ehc147.htm
  6. Casarett LJ, Klaassen CD, and Watkins JB (2003). Casarett and Doull's essentials of toxicology. New York: McGraw-Hill/Medical Pub. Div.
  7. Rumack BH (2009). POISINDEX(R) Information System. Englewood, CO: Micromedex, Inc. CCIS Volume 141, edition expires Aug, 2009.
  8. EPA Office of Pesticide Programs (2001). Implementation of the Determinations of a Common Mechanism of Toxicity for N-Methyl Carbamate Pesticides and for Certain Chloroacetaide Pesticides.
  9. Reigart JR, Roberts JR (1999). U.S. Recognition and Management of Pesticide Poisonings. 5th ed. EPA Document No. EPA 735-R-98-003. Washington, DC: Office of Health and Environmental Assessment.
  10. Luft S, Milki E, Glustrom E, Ampiah-Bonney R, O'Hara P. Binding of Organochloride and Pyrethroid Pesticides To Estrogen Receptors α and β: A Fluorescence Polarization Assay. Biophysical Journal 2009;96(3):444a.