TIPRANAVIR BETA-D-GLUCURONIDE

CAS No.
947408-14-2
CCD No.
CCD08275847
Formula
C37 H41 F3 N2 O11 S
MolWeight
778.794

Basic Information

Product Name: TIPRANAVIR BETA-D-GLUCURONIDE
CAS: 947408-14-2
English Synonyms: TIPRANOVIR BETA-D-GLUCURONIDE ; TIPRANAVIR BETA-D-GLUCURONIDE
MDL Number.: MFCD23160346
H bond acceptor: 13
H bond donor: 5
Smile: 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@H](O4)C(=O)O)O)O)O)CCc5ccccc5
InChi: 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: InChIKey=ODSCYUCOVFARRF-YFHPYYSLSA-N

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