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CHEBI:8121 - phosalone

ChEBI IDCHEBI:8121
ChEBI Namephosalone
Stars
DefinitionA 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.
Last Modified25 February 2016
DownloadsMolfile
FormulaC12H15ClNO4PS2
Net Charge0
Average Mass367.816
Monoisotopic Mass366.98686
SMILESCCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=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
InChIKeyIOUNQDKNJZEDEP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
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.
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)
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  Source
PhosaloneKEGG COMPOUND
Agria 1060 AKEGG COMPOUND
S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphateIUPAC
Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl esterChemIDplus
3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinoneNIST Chemistry WebBook
Manual XrefsDatabases
C11028KEGG COMPOUND
HMDB0041985HMDB
JP2006213665Patent
CA1048929Patent
PhosaloneWikipedia
LSM-25642LINCS
520PPDB
Registry NumbersSources
Reaxys:694650Reaxys
CAS:2310-17-0KEGG COMPOUND
CAS:2310-17-0ChemIDplus
CAS:2310-17-0NIST Chemistry WebBook
Citations