| Phytochemical Name : Ajmaline |
| PCNDIDA0039 |
| Pubchem CID : 6100671 |
| Molecular formula: C20H26N2O2 |
| Canonical SMILES : CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C |
Synonymes : (+)-Ajmaline|4360-12-7|Ajmalan-17,21-diol, (17R,21a)-|Ajmalin|Ajmaline|Cardiorythmine|Gilurytmal|Ignazin|Merabitol|NSC 15627|Raugalline|Rauwolfin|Rauwolfine|Rhytmaton|Ritmos|Rytmalin|Siddiqui|Tachmalin|Takycor|Rauverid|Ajmaline [JAN]|Aritmina|Cartagine|ajmaline HCl|1PON08459R|Ajmalan-17,21-diol|Tajmalin|Takhmalin|EINECS 224-439-4|NSC-15627|(17r,21r)-ajmalan-17,21-diol|NSC 628054|(17R,21alpha)-Ajmalan-17,21-diol|(17R,21-alpha)-Ajmalan-17,21-diol|AI3-62668|Ajmalan-17,21-diol, (17R,21-alpha)-|AJMALINE [MI]|AJMALINE [MART.]|AJMALINE [WHO-DD]|UNII-1PON08459R|Ajmalan-17,21-diol, (17R,21alpha)-, compound with methanol (1:1)|(15alpha,17R,21alpha)-Ajmalan-17,21-diol|A857897 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.640 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : 0.790 |
| Log Po/w (MLOGP) : 2.670 |
| Log Po/w (SILICOS-IT) : 0.730 |
| Consensus Log Po/w : 1.530 |