CHEBI:8121 - phosalone

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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 0
Average Mass 367.81030
Monoisotopic Mass 366.987
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 )
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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
Database Links Databases
C11028 KEGG COMPOUND
CA1048929 Patent
HMDB0041985 HMDB
JP2006213665 Patent
LSM-25642 LINCS
Phosalone Wikipedia
View more database links
Registry Numbers Types Sources
2310-17-0 CAS Registry Number ChemIDplus
2310-17-0 CAS Registry Number NIST Chemistry WebBook
694650 Reaxys Registry Number Reaxys
694650 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15132335 PubMed citation Europe PMC
24053362 PubMed citation Europe PMC
Last Modified
25 February 2016