CHEBI:6908 - trichlorfon

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.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
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
metrifonatoWHO MedNet
metrifonatumWHO MedNet
metrifonateWHO MedNet
métrifonateWHO MedNet
Synonyms  Source
MetrifonateKEGG COMPOUND
TrichlorfonKEGG COMPOUND
ChlorophosChemIDplus
(±)-TrichlorfonChemIDplus
1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl esterChemIDplus
Methyl chlorophosChemIDplus
Manual XrefsDatabases
C07971KEGG COMPOUND
MetrifonateWikipedia
D00805KEGG DRUG
LSM-4995LINCS
1787DrugCentral
657PPDB
657VSDB
Registry NumbersSources
Reaxys:1709434Reaxys
CAS:52-68-6KEGG COMPOUND
CAS:52-68-6ChemIDplus
CAS:52-68-6NIST Chemistry WebBook
Citations