Yohimbine
methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.4 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 146-48-5 |
|---|---|
| SMILES | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
| InChIKey | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
📖 Product Overview
Yohimbine (CAS: 146-48-5) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.4 g/mol. Its IUPAC systematic name is methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
BLGXFZZNTVWLAY-SCYLSFHTSA-N.
SMILES: COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.
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