Thaliracebine
[CAS# 67591-63-3]

Identification

• Name: Thaliracebine
• Synonyms: (5S)-5-[[4-[5-[[(1S)-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl]Methyl]-2-Methoxy-Phenoxy]Phenyl]Methyl]-9-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline; (5S)-5-[4-[5-[[(1S)-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl]Methyl]-2-Methoxy-Phenoxy]Benzyl]-9-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline; Thaliracebine
• Molecular Formula: C₃₉H₄₄N₂O₇
• Molecular Weight: 652.79
• CAS Registry Number: 67591-63-3
• SMILES: [C@H]1(N(CCC3=C1C=C2OCOC2=C3OC)C)CC7=CC=C(OC4=CC(=CC=C4OC)C[C@@H]5N(CCC6=C5C=C(OC)C(=C6)OC)C)C=C7
• InChI: 1S/C39H44N2O7/c1-40-15-13-26-20-34(43-4)35(44-5)21-29(26)31(40)18-25-9-12-33(42-3)36(19-25)48-27-10-7-24(8-11-27)17-32-30-22-37-39(47-23-46-37)38(45-6)28(30)14-16-41(32)2/h7-12,19-22,31-32H,13-18,23H2,1-6H3/t31-,32-/m0/s1
• InChIKey: DNVRACCNTZAQFE-ACHIHNKUSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 732.11°C at 760 mmHg (Cal.)
• Flash point: 178.684°C (Cal.)