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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 3.1.1.8 (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.
Applications:
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).
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