CHEBI:38587 - azinphos-ethyl

ChEBI IDCHEBI:38587
ChEBI Nameazinphos-ethyl
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H16N3O3PS2
Net Charge0
Average Mass345.386
Monoisotopic Mass345.03707
SMILESCCOP(=S)(OCC)SCn1nnc2ccccc2c1=O
InChIInChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
InChIKeyRQVGAIADHNPSME-UHFFFAOYSA-N
Roles Classification
Biological Role:
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:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
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.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
azinphos-ethyl (CHEBI:38587) has parent hydride 1,2,3-benzotriazine (CHEBI:38586)
azinphos-ethyl (CHEBI:38587) has role acaricide (CHEBI:22153)
azinphos-ethyl (CHEBI:38587) has role agrochemical (CHEBI:33286)
azinphos-ethyl (CHEBI:38587) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
azinphos-ethyl (CHEBI:38587) is a organic thiophosphate (CHEBI:37512)
azinphos-ethyl (CHEBI:38587) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name 
O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate
Synonyms  Source
Azinphos ethylChemIDplus
GusathionChemIDplus
Ethyl azinphosChemIDplus
3,4-Dihydro-4-oxo-3-benzotriazinylmethyl O,O-diethyl phosphorodithioateChemIDplus
O,O-Diethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) phosphorodithioateChemIDplus
Phosphorodithioic acid, O,O-diethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) esterChemIDplus
Manual XrefsDatabases
C18644KEGG COMPOUND
50PPDB
Registry NumbersSources
Beilstein:297468Beilstein
CAS:2642-71-9ChemIDplus
CAS:2642-71-9NIST Chemistry WebBook
CAS:2642-71-9KEGG COMPOUND