Chemical Component Summary | |
|---|---|
| Name | Ajmalicine |
| Synonyms | methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate |
| Identifiers | n/a |
| Formula | C21 H24 N2 O3 |
| Molecular Weight | 352.427 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC |
| InChI | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1 |
| InChIKey | GRTOGORTSDXSFK-XJTZBENFSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 50 |
| Chiral Atom Count | 4 |
| Bond Count | 54 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL123325 |
| PubChem | 441975 |
| ChEMBL | CHEMBL123325 |
| ChEBI | CHEBI:2524 |
| CCDC/CSD | TOYVEK |
