beta-Yohimbin hydrochloride
methyl (1S,15R,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Also Known As: beta-Yohimbin hydrochloride|beta-Yohimbin HCl|Antagonil|beta-Yohimbine hydrochloride|methyl (1S,15R,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride|Yohimban-16-alpha-carboxylic acid, 17-beta-hydroxy-, methyl ester, hydrochloride
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17102 g/mol |
| LogP | 3.0689 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.17102 |
| Monoisotopic Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 851.06433 |
Chemical Identifiers
| CAS Number | 75444-63-2 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl |
Product Overview
beta-Yohimbin hydrochloride (CAS 75444-63-2), with molecular formula C21H27ClN2O3 and molecular weight 390.17102 g/mol. IUPAC: methyl (1S,15R,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride.
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