Yohimban, 17-beta-chloro-16-alpha-methyl-
(1S,15R,18R,19R,20S)-18-chloro-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
Also Known As: Yohimbylalkohol-cycl.-sulfit|17-Chloro-16-methylyohimban|17beta-Chloro-16alpha-methylyohimban|17-beta-Chloro-16-alpha-methylyohimbane|KST-1A4964|Yohimban, 17-beta-chloro-16-alpha-methyl-|(16|A,17|A)-17-chloro-16-methylyohimban|18-chloro-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban|(1S,15R,18R,19R,20S)-18-chloro-19-methyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene
| Molecular Formula | C20H25ClN2 |
|---|---|
| Molecular Weight | 328.17062 g/mol |
| LogP | 4.74 |
| Topological Polar Surface Area | 19.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.17062 |
| Heavy Atoms | 23 |
| Complexity | 736.3 |
Chemical Identifiers
| CAS Number | 439-65-6 |
|---|---|
| SMILES | C[C@H]1[C@@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)Cl |
Product Overview
Yohimban, 17-beta-chloro-16-alpha-methyl- (CAS 439-65-6), with molecular formula C20H25ClN2 and molecular weight 328.17062 g/mol. IUPAC: (1S,15R,18R,19R,20S)-18-chloro-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban.
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