Emetamine
[CAS# 483-19-2]

Identification

• Name: Emetamine
• Synonyms: (2R,3R,11Bs)-2-[(6,7-Dimethoxy-1-Isoquinolyl)Methyl]-3-Ethyl-9,10-Dimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinoline; Emetamine; 6',7',10,11-Tetramethoxy-1',2',3',4'-Tetradehydroemetan
• Molecular Formula: C₂₉H₃₆N₂O₄
• Molecular Weight: 476.61
• CAS Registry Number: 483-19-2
• SMILES: [C@H]34N(C[C@@H]([C@@H](CC1=NC=CC2=C1C=C(C(=C2)OC)OC)C3)CC)CCC5=C4C=C(OC)C(=C5)OC
• InChI: 1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1
• InChIKey: MBYXEBXZARTUSS-HMHJJOSWSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 605.962°C at 760 mmHg (Cal.)
• Flash point: 320.275°C (Cal.)