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CHEBI:8121 - phosalone
| Formula | C12H15ClNO4PS2 |
| Net Charge | 0 |
| Average Mass | 367.816 |
| Monoisotopic Mass | 366.98686 |
| SMILES | CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
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| 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 |
|---|---|
| 3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone | NIST Chemistry WebBook |
| Agria 1060 A | KEGG COMPOUND |
| S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate | IUPAC |
| Phosalone | KEGG COMPOUND |
| Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl ester | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 520 | PPDB |
| C11028 | KEGG COMPOUND |
| CA1048929 | Patent |
| HMDB0041985 | HMDB |
| JP2006213665 | Patent |
| LSM-25642 | LINCS |
| Phosalone | Wikipedia |
| Citations |
|---|