Thalirugidine
[CAS# 64215-95-8]

Identification

• Name: Thalirugidine
• Synonyms: (1S)-1-[[4-[5-[[(1S)-5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
• Molecular Formula: C₃₉H₄₆N₂O₈
• Molecular Weight: 670.80
• CAS Registry Number: 64215-95-8
• SMILES: CN1CCC2=C(C(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C(=C6CCN5C)O)OC)OC)OC)OC)OC)O
• InChI: 1S/C39H46N2O8/c1-40-16-14-26-28(21-34(45-4)38(47-6)36(26)42)30(40)18-23-8-11-25(12-9-23)49-33-20-24(10-13-32(33)44-3)19-31-29-22-35(46-5)39(48-7)37(43)27(29)15-17-41(31)2/h8-13,20-22,30-31,42-43H,14-19H2,1-7H3/t30-,31-/m0/s1
• InChIKey: DITCAWDOTGUOAZ-CONSDPRKSA-N