phosalone (CHEBI:8121)

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ChEBI Name	phosalone

ChEBI ID	CHEBI:8121

Definition	A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide.

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

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Formula

C12H15ClNO4PS2

Net Charge

Average Mass

367.81030

Monoisotopic Mass

366.98687

InChI

InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

InChIKey

IOUNQDKNJZEDEP-UHFFFAOYSA-N

SMILES

CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O

Roles Classification
Biological Role(s):	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.

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 organochlorine insecticide ) (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 organochlorine pesticide ) (via organophosphorus pesticide )

ChEBI Ontology
Outgoing	phosalone (CHEBI:8121) has role acaricide (CHEBI:22153) phosalone (CHEBI:8121) has role agrochemical (CHEBI:33286) phosalone (CHEBI:8121) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) phosalone (CHEBI:8121) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733) phosalone (CHEBI:8121) is a 1,3-benzoxazoles (CHEBI:51548) phosalone (CHEBI:8121) is a carbamate ester (CHEBI:23003) phosalone (CHEBI:8121) is a organochlorine insecticide (CHEBI:25705) phosalone (CHEBI:8121) is a organothiophosphate insecticide (CHEBI:25715)

IUPAC Name

S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate

Synonyms	Sources
3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone	NIST Chemistry WebBook
Agria 1060 A	KEGG COMPOUND
Phosalone	KEGG COMPOUND
Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl ester	ChemIDplus
S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate	IUPAC

Last Modified

25 February 2016