2,9,10-Trimethoxy-3-(2-Methylpropyl)-2,3,4,6,7,11b-Hexahydro-1H-Pyrido[2,1-a]Isoquinoline
[CAS# 152404-97-2]

Identification

• Name: 2,9,10-Trimethoxy-3-(2-Methylpropyl)-2,3,4,6,7,11b-Hexahydro-1H-Pyrido[2,1-a]Isoquinoline
• Synonyms: 3-Isobutyl-2,9,10-Trimethoxy-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinoline; 5-O-Methyldihydrotetrabenazine; Methoxytetrabenazine
• Molecular Formula: C₂₀H₃₁NO₃
• Molecular Weight: 333.47
• CAS Registry Number: 152404-97-2
• SMILES: C1=C2C(=CC(=C1OC)OC)C3N(CC2)CC(C(C3)OC)CC(C)C
• InChI: 1S/C20H31NO3/c1-13(2)8-15-12-21-7-6-14-9-19(23-4)20(24-5)10-16(14)17(21)11-18(15)22-3/h9-10,13,15,17-18H,6-8,11-12H2,1-5H3
• InChIKey: GWNKOGCQUQKSHT-UHFFFAOYSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 425.017°C at 760 mmHg (Cal.)
• Flash point: 116.694°C (Cal.)