EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:38630 - indoxacarb
| Formula | C22H17ClF3N3O7 |
| Net Charge | 0 |
| Average Mass | 527.839 |
| Monoisotopic Mass | 527.07071 |
| SMILES | COC(=O)N(C(=O)N1CO[C@@]2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1 |
| InChI | InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1 |
| InChIKey | VBCVPMMZEGZULK-NRFANRHFSA-N |
| Roles Classification |
|---|
| Biological Role: | voltage-gated sodium channel blocker Any sodium channel blocker that interferes with the activity of voltage-gated sodium channels. |
| Applications: | 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) |
| indoxacarb (CHEBI:38630) has role voltage-gated sodium channel blocker (CHEBI:38634) |
| indoxacarb (CHEBI:38630) is a methyl ester (CHEBI:25248) |
| indoxacarb (CHEBI:38630) is a organochlorine insecticide (CHEBI:25705) |
| IUPAC Name |
|---|
| methyl (4aS)-7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate |
| Synonyms | Source |
|---|---|
| indoxacarb | ChemIDplus |
| Steward | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8366683 | Beilstein |
| CAS:173584-44-6 | ChemIDplus |
| CAS:173584-44-6 | KEGG COMPOUND |