HuagongsheHuagongshe Chemistry Print Report · For research reference only
3',4'-Dihydrousambarensine
3',4'-Dihydrousambarensine · (19E)-19,20-Didehydro-16-[4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl]-17-norcorynan · (19E)-19,20-Didehydro-16-(3,4-dihydro-9H-pyrido[3,4-b]indole-1-yl)-17-norcorynan
Identifiers & Physical Properties
| CAS No. | 36150-15-9 |
|---|---|
| Molecular formula | C29H30N4 |
| Average molar mass | 434.6 g/mol |
| Monoisotopic mass | 434.24704697 g/mol |
| SMILES | C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 |
| InChIKey | QIBOKZAYILIQKG-FEVVHCQVSA-N |
| PubChem CID | 136863243 |
| ChEMBL | CHEMBL5209425 |
| DTXSID | DTXSID401340043 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 47.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 803 |