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CHEBI:6908 - trichlorfon

Default Structure
ChEBI IDCHEBI:6908
ChEBI Nametrichlorfon
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC4H8Cl3O4P
Net Charge0
Average Mass257.437
Monoisotopic Mass255.92258
SMILESCOP(=O)(OC)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
InChIKeyNFACJZMKEDPNKN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
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).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
metrifonateWHO MedNet
métrifonateWHO MedNet
metrifonatoWHO MedNet
metrifonatumWHO MedNet
Synonyms  Source
1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl esterChemIDplus
ChlorophosChemIDplus
Methyl chlorophosChemIDplus
MetrifonateKEGG COMPOUND
(±)-TrichlorfonChemIDplus
TrichlorfonKEGG COMPOUND
Manual XrefsDatabases
1787DrugCentral
657PPDB
657VSDB
C07971KEGG COMPOUND
D00805KEGG DRUG
LSM-4995LINCS
MetrifonateWikipedia
Registry NumbersSources
Reaxys:1709434Reaxys
CAS:52-68-6ChemIDplus
CAS:52-68-6NIST Chemistry WebBook
CAS:52-68-6KEGG COMPOUND
Citations