1-Methylyohimbine
[CAS# 5057-80-7]

Identification

• Name: 1-Methylyohimbine
• Synonyms: Yohimban-16-Carboxylic Acid, 17-Hydroxy-1-Methyl-, Methyl Ester, Monohydriodide, (16Alpha,17Alpha)-
• Molecular Formula: C₂₂H₂₉IN₂O₃
• Molecular Weight: 496.39
• CAS Registry Number: 5057-80-7
• SMILES: [C@@H]15[C@H](CN2[C@@H](C1)C4=C(CC2)C3=CC=CC=C3[N]4C)CC[C@H](O)[C@@H]5C(OC)=O.[H+].[I-]
• InChI: 1S/C22H28N2O3.HI/c1-23-17-6-4-3-5-14(17)15-9-10-24-12-13-7-8-19(25)20(22(26)27-2)16(13)11-18(24)21(15)23;/h3-6,13,16,18-20,25H,7-12H2,1-2H3;1H/t13-,16-,18-,19-,20+;/m0./s1
• InChIKey: WJMMXLIYALYDFB-HXBJQTCSSA-N

Properties

• Boiling point: 544.8°C at 760 mmHg (Cal.)
• Flash point: 283.3°C (Cal.)