quinalphos (CHEBI:8712)

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ChEBI Name	quinalphos

ChEBI ID	CHEBI:8712

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H15N2O3PS

Net Charge

Average Mass

298.29894

Monoisotopic Mass

298.05410

InChI

InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3

InChIKey

JYQUHIFYBATCCY-UHFFFAOYSA-N

SMILES

CCOP(=S)(OCC)Oc1cnc2ccccc2n1

Roles Classification
Biological Role(s):	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):	acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). agrochemical An agrochemical is a substance that is used in agriculture or horticulture. 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. (via organophosphorus insecticide ) pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. (via organophosphorus pesticide )

ChEBI Ontology
Outgoing	quinalphos (CHEBI:8712) has functional parent quinoxalin-2-ol (CHEBI:38890) quinalphos (CHEBI:8712) has role acaricide (CHEBI:22153) quinalphos (CHEBI:8712) has role agrochemical (CHEBI:33286) quinalphos (CHEBI:8712) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) quinalphos (CHEBI:8712) is a organic thiophosphate (CHEBI:37512) quinalphos (CHEBI:8712) is a organothiophosphate insecticide (CHEBI:25715)

IUPAC Name

O,O-diethyl O-quinoxalin-2-yl phosphorothioate

Synonyms	Sources
Bayrusil	ChemIDplus
Diethyl O-(2-quinoxalyl) phosphorothioate	NIST Chemistry WebBook
Diethyl O-(quinoxalin-2-yl) thiophosphate	NIST Chemistry WebBook
O,O-diethyl O-quinoxalin-2-yl thiophosphate	IUPAC
Phosphorothioic acid, O,O-diethyl O-(2-quinoxalinyl) ester	ChemIDplus
Quinalphos	KEGG COMPOUND

Registry Number	Type	Source
13593-03-8	CAS Registry Number	ChemIDplus

Last Modified

16 July 2007