CHEBI:8121 - phosalone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information ChemicalBook:CB3358140, eMolecules:1988484, ZINC000000900715
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C12H15ClNO4PS2
Net Charge 0
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 )
View more via ChEBI Ontology
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
Manual Xrefs Databases
520 PPDB
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 KEGG COMPOUND
2310-17-0 CAS Registry Number NIST Chemistry WebBook
2310-17-0 CAS Registry Number ChemIDplus
694650 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
25 February 2016