Methyl (4xi,5beta,18beta)-Ibogamine-18-Carboxylate
[CAS# 38542-83-5]

Identification

• Name: Methyl (4xi,5beta,18beta)-Ibogamine-18-Carboxylate
• Molecular Formula: C₂₁H₂₆N₂O₂
• Molecular Weight: 338.44
• CAS Registry Number: 38542-83-5
• SMILES: CCC1CC2C[C@]3(C1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)OC
• InChI: 1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13?,14?,19?,21-/m0/s1
• InChIKey: NVVDQMVGALBDGE-JJJMIIDGSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 488.139°C at 760 mmHg (Cal.)
• Flash point: 249.018°C (Cal.)