isofenphos (CHEBI:6009)

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ChEBI Name	isofenphos

ChEBI ID	CHEBI:6009

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H24NO4PS

Net Charge

Average Mass

345.39516

Monoisotopic Mass

345.11637

InChI

InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)

InChIKey

HOQADATXFBOEGG-UHFFFAOYSA-N

SMILES

CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C

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):	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	isofenphos (CHEBI:6009) has functional parent isopropyl salicylate (CHEBI:38703) isofenphos (CHEBI:6009) has role agrochemical (CHEBI:33286) isofenphos (CHEBI:6009) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) isofenphos (CHEBI:6009) is a isopropyl ester (CHEBI:35725) isofenphos (CHEBI:6009) is a organic phosphonate (CHEBI:37592) isofenphos (CHEBI:6009) is a organothiophosphate insecticide (CHEBI:25715) isofenphos (CHEBI:6009) is a phosphonic ester (CHEBI:37735) isofenphos (CHEBI:6009) is a salicylates (CHEBI:26596)

IUPAC Name

propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate

Synonyms	Sources
1-methylethyl 2-({ethoxy[(1-methylethyl)amino]phosphorothioyl}oxy)benzoate	IUPAC
1-methylethyl-2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy) benzoate	ChemIDplus
2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]benzoic acid 1-methylethyl ester	NIST Chemistry WebBook
Isofenphos	KEGG COMPOUND
isophenphos	ChemIDplus
isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate	IUPAC
isopropylsalicylate, O-ester with O-ethyl isopropylphosphoramidothioate	ChemIDplus
O-ethyl O-(2-isopropoxycarbonyl)phenyl isopropylphosphoramidothioate	ChemIDplus
Oftanol	ChemIDplus

Last Modified

09 March 2018