Indoxacarb
| PubChem CID | 107720 |
| Molecular Formula | C22H17ClF3N3O7 |
| Structure |
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| Synonyms |
Indoxacarb
173584-44-6 Steward (S)-Indoxacarb Insecticide Provaunt Advion Avaunt Indoxacarb [ISO] Avent 174060-41-4 DPX-KN128 52H0D26MWR Indeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-, methyl ester, (4aS)- DTXSID1032690 CHEBI:38630 Indoxacarb (JAN) methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate INDOXACARB (EMA EPAR: VETERINARY) Avatar INDOXACARB [JAN] methyl (4aS)-7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate DPX-KN 128 HSDB 7280 DPX-MP 062-381 UNII-52H0D26MWR DPX-MP062 (+/-)-Indoxacarb;DPX-JW 062; DPX-MP 062; Tornado; Tornado 10FL Indoxacarb 10 microg/mL in Cyclohexane (4aS)-indoxacarb ACTIVYL INDOXACARB [MI] INDOXACARB [HSDB] (+)-INDOXACARB INDOXACARB, (+)- SCHEMBL22073 Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate CHEMBL197676 DTXCID9012690 AMY20519 Tox21_300723 MFCD03792834 AKOS037643748 NCGC00164264-02 NCGC00164264-03 NCGC00254629-01 AS-35129 ACTIVYL TICK PLUS COMPONENT INDOXACARB CAS-173584-44-6 NS00098526 Indoxacarb, PESTANAL(R), analytical standard (S)-Indoxacarb 100 microg/mL in Acetonitrile C18569 D06316 Q421469 ()-Indoxacarb;DPX-JW 062; DPX-MP 062; Tornado; Tornado 10FL (S)-methyl 7-chloro-2-(methoxycarbonyl(4-(trifluoromethoxy)phenyl)carbamoyl)-2,3,4a,5-tetrahydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid,7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)- Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylicacid,7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-,methyl ester Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylicacid,7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-,methyl ester, (4aS)- METHYL (4AS)-7-CHLORO-2,5-DIHYDRO-2-(((METHOXYCARBONYL)(4-(TRIFLUOROMETHOXY)PHENYL)AMINO)CARBONYL)INDENO(1,2-E)(1,3,4)OXADIAZINE-4A(3H)-CARBOXYLATE |
Computed Descriptors
| IUPAC Name | methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate |
| SMILES | COC(=O)[C@]12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl |
| Canonical SMILES | COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl |
| 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 |
Computed Properties
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| Molecular Weight | 527.8 g/mol |
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 527.071 |
| Monoisotopic Mass | 527.071 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 912 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
10 pairs of Verified P450 and Indoxacarb
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Spodoptera frugiperda | CYP321A7 | R | |
| Spodoptera frugiperda | CYP6AE43 | R | |
| Spodoptera frugiperda | CYP9A24 | X | |
| Spodoptera frugiperda | CYP9A25 | X | |
| Spodoptera frugiperda | CYP9A29 | X | |
| Spodoptera frugiperda | CYP9A31 | X | |
| Spodoptera frugiperda | CYP9A32 | C,X | |
| Spodoptera frugiperda | CYP9A59 | X | |
| Spodoptera frugiperda | CYP9A77 | X | |
| Spodoptera litura | CYP6AE68 | R |