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CHEBI:6009 - isofenphos
| Formula | C15H24NO4PS |
| Net Charge | 0 |
| Average Mass | 345.401 |
| Monoisotopic Mass | 345.11637 |
| SMILES | CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C |
| InChI | InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) |
| InChIKey | HOQADATXFBOEGG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | 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. 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) |
| isofenphos (CHEBI:6009) has functional parent isopropyl salicylate (CHEBI:38703) |
| isofenphos (CHEBI:6009) has role agrochemical (CHEBI:33286) |
| isofenphos (CHEBI:6009) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| isofenphos (CHEBI:6009) is a isopropyl ester (CHEBI:35725) |
| isofenphos (CHEBI:6009) is a organic phosphonate (CHEBI:37592) |
| isofenphos (CHEBI:6009) is a organothiophosphate insecticide (CHEBI:25715) |
| isofenphos (CHEBI:6009) is a phosphonic ester (CHEBI:37735) |
| isofenphos (CHEBI:6009) is a salicylates (CHEBI:26596) |
| IUPAC Name |
|---|
| propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate |
| Synonyms | Source |
|---|---|
| Isofenphos | KEGG COMPOUND |
| 1-methylethyl 2-({ethoxy[(1-methylethyl)amino]phosphorothioyl}oxy)benzoate | IUPAC |
| isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate | IUPAC |
| 2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]benzoic acid 1-methylethyl ester | NIST Chemistry WebBook |
| 1-methylethyl-2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy) benzoate | ChemIDplus |
| isopropylsalicylate, O-ester with O-ethyl isopropylphosphoramidothioate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2949615 | Beilstein |
| CAS:25311-71-1 | KEGG COMPOUND |
| CAS:25311-71-1 | ChemIDplus |
| CAS:25311-71-1 | NIST Chemistry WebBook |