Dabigatran Acyl-beta-D-Glucuronide (trifluoroacetate salt)

Dabigatran acyl-beta-D-glucuronide is an active metabolite of the thrombin inhibitor dabigatran (Cay17133). It is formed from dabigatran primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT2B15. Dabigatran acyl-beta-D-glucuronide (0.46 µM) increases activated partial thromboplastin time (aPTT) in isolated human platelet-poor plasma. SMILES CN1C2=CC=C(C(N(CCC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=O)C4=NC=CC=C4)=O)C=C2N=C1CNC5=CC=C(C(N)=N)C=C5.OC(C(F)(F)F)=O InChi Code InChI=1S/C31H33N7O9.C2HF3O2/c1-37-20-10-7-17(14-19(20)36-22(37)15-35-18-8-5-16(6-9-18)28(32)33)29(43)38(21-4-2-3-12-34-21)13-11-23(39)46-31-26(42)24(40)25(41)27(47-31)30(44)45,3-2(4,5)1(6)7/h2-10,12,14,24-27,31,35,40-42H,11,13,15H2,1H3,(H3,32,33)(H,44,45),(H,6,7)/t24-,25-,26+,27-,31+,/m0./s1 InChi Key RRCUNSDOLKLUGK-OIADZRQFSA-N