EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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 3.1.1.7 (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.
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).
Applications:
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.
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