Tipranavir Glucuronide
[CAS# 947408-14-2]

Identification

• Name: Tipranavir Glucuronide
• Synonyms: Tipranavir ¦Â-D-Glucuronide
• Molecular Formula: C₃₇H₄₁F₃N₂O₁₁S
• Molecular Weight: 778.79
• CAS Registry Number: 947408-14-2
• SMILES: CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O[C@H]4[C@H]([C@H]([C@@H](C(O4)C(=O)O)O)O)O)CCc5ccccc5
• InChI: 1S/C37H41F3N2O11S/c1-3-16-36(17-15-21-9-6-5-7-10-21)19-26(51-35-31(45)29(43)30(44)32(52-35)33(46)47)28(34(48)53-36)25(4-2)22-11-8-12-24(18-22)42-54(49,50)27-14-13-23(20-41-27)37(38,39)40/h5-14,18,20,25,29-32,35,42-45H,3-4,15-17,19H2,1-2H3,(H,46,47)/t25-,29+,30+,31+,32?,35-,36-/m1/s1
• InChIKey: ODSCYUCOVFARRF-VDCJWBPRSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 925.144°C at 760 mmHg (Cal.)
• Flash point: 513.309°C (Cal.)
• Refractive index: 1.626 (Cal.)