CHEBI:6908 - trichlorfon

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ChEBI Name trichlorfon
ChEBI ID CHEBI:6908
Definition A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7472545, eMolecules:510301
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Formula C4H8Cl3O4P
Net Charge 0
Average Mass 257.43700
Monoisotopic Mass 255.92258
InChI InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
InChIKey NFACJZMKEDPNKN-UHFFFAOYSA-N
SMILES COP(=O)(OC)C(O)C(Cl)(Cl)Cl
Roles Classification
Biological Role(s): EC 3.1.1.8 (cholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
EC 3.1.1.7 (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Application(s): insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
anthelminthic drug
Substance intended to kill parasitic worms (helminths).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trichlorfon (CHEBI:6908) has role agrochemical (CHEBI:33286)
trichlorfon (CHEBI:6908) has role anthelminthic drug (CHEBI:35443)
trichlorfon (CHEBI:6908) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
trichlorfon (CHEBI:6908) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
trichlorfon (CHEBI:6908) has role insecticide (CHEBI:24852)
trichlorfon (CHEBI:6908) is a organic phosphonate (CHEBI:37592)
trichlorfon (CHEBI:6908) is a organochlorine compound (CHEBI:36683)
trichlorfon (CHEBI:6908) is a phosphonic ester (CHEBI:37735)
IUPAC Name
dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
INNs Sources
metrifonate WHO MedNet
métrifonate WHO MedNet
metrifonato WHO MedNet
metrifonatum WHO MedNet
Synonyms Sources
(±)-Trichlorfon ChemIDplus
1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester ChemIDplus
Chlorophos ChemIDplus
Methyl chlorophos ChemIDplus
Metrifonate KEGG COMPOUND
Trichlorfon KEGG COMPOUND
Manual Xrefs Databases
1787 DrugCentral
657 VSDB
657 PPDB
C07971 KEGG COMPOUND
D00805 KEGG DRUG
LSM-4995 LINCS
Metrifonate Wikipedia
View more database links
Registry Numbers Types Sources
1709434 Reaxys Registry Number Reaxys
52-68-6 CAS Registry Number ChemIDplus
52-68-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
22 February 2017