Spirotetramat
| PubChem CID | 9969573 |
| Molecular Formula | C21H27NO5 |
| Structure |
|
| Synonyms |
Spirotetramat
203313-25-1 Movento Ultor (5s,8s)-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate Spirotetramat [ISO] Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate 4G7KR034OX DTXSID7044342 CHEBI:81975 cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate cis-4-(ethoxycarbonyloxy)-8-methoxy-3-(2,5-xylyl)-1-azaspiro(4.5)dec-3-en-2-one 382608-10-8 UNII-4G7KR034OX BYI 1330 CIS-3-(2,5-DIMETHYLPHENYL)-8-METHOXY-2-OXO-1-AZASPIRO(4.5)DEC-3-EN-4-YL ETHYL CARBONATE SPIROTETRAMAT [MI] SCHEMBL26389 SCHEMBL337030 CHEMBL2229173 SCHEMBL12022413 SCHEMBL13227443 SCHEMBL13299093 DTXSID40861495 CLSVJBIHYWPGQY-UHFFFAOYSA-N DTXCID701436205 BYI 8330 Tox21_302430 AKOS016007693 [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] Ethyl Carbonate NCGC00255843-01 carbonic acid cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-y l ethyl ester HY-120253 CAS-203313-25-1 CS-0077368 CS-0451924 NS00008224 C18807 EN300-7502063 J-013221 Q2685527 cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethylcarbonate ethyl cis-8-methoxy-2-oxo-3-(2,5-xylyl)-1-azaspiro[4.5]dec-3-en-4-yl carbonate ETHYL (5S,8S)-3-(2,5-DIMETHYLPHENYL)-8-METHOXY-2-OXO-1-AZASPIRO[4.5]DEC-3-EN-4-YL CARBONATE |
Computed Descriptors
| IUPAC Name | [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate |
| SMILES | CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C |
| Canonical SMILES | CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C |
| InChI | InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23) |
| InChIKey | CLSVJBIHYWPGQY-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 373.4 g/mol |
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 373.189 |
| Monoisotopic Mass | 373.189 |
| Topological Polar Surface Area | 73.9 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 606 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
7 pairs of Verified P450 and Spirotetramat
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Aphis gossypii | CYP380C6 | R | |
| Aphis gossypii | CYP380C6 | D | |
| Aphis gossypii | CYP4CJ1 | R,X | |
| Aphis gossypii | CYP6A2 | R | |
| Aphis gossypii | CYP6CY21 | R,D | |
| Aphis gossypii | CYP6CY7 | R,X | |
| Aphis gossypii | CYP6DA2 | D |