Thalibrine
[CAS# 59614-34-5]

Identification

• Name: Thalibrine
• Synonyms: 1-[[4-[5-[(6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl]-2-Methoxy-Phenoxy]Phenyl]Methyl]-6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Ol; 1-[4-[5-[(6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl]-2-Methoxy-Phenoxy]Benzyl]-6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Ol; Thalibrine
• Molecular Formula: C₃₈H₄₄N₂O₆
• Molecular Weight: 624.78
• CAS Registry Number: 59614-34-5
• SMILES: C6=C5C(CC4=CC=C(OC1=CC(=CC=C1OC)CC3C2=C(C=C(C(=C2)OC)OC)CCN3C)C=C4)N(CCC5=CC(=C6O)OC)C
• InChI: 1S/C38H44N2O6/c1-39-15-13-26-20-35(43-4)33(41)22-29(26)31(39)17-24-7-10-28(11-8-24)46-38-19-25(9-12-34(38)42-3)18-32-30-23-37(45-6)36(44-5)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3
• InChIKey: MEETXPGMOAAZPG-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 729.254°C at 760 mmHg (Cal.)
• Flash point: 394.839°C (Cal.)