Dabigatran Acetate 6-Benzyloxy Acyl-Beta-D-Glucuronide

Product Specifications

Synonyms

(2S,3R,4S,5S,6S)-6-(Benzyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl 3-(2-(((4-((Z)-N'-acetoxycarbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

Hazard Statement

No Data Available

Smiles

O=C(C1=CC=C2C(N=C(CNC3=CC=C(/C(N)=N/OC(C)=O)C=C3)N2C)=C1)N(CCC(O[C@@H]4O[C@H](OCC5=CC=CC=C5)[C@@H](O)[C@H](O)[C@H]4O)=O)C6=NC=CC=C6

Molecular Formula

C39H41N7O10

Molecular Weight

767.78

InChI

InChI=1S/C39H41N7O10/c1-23(47)56-44-36(40)25-11-14-27(15-12-25)42-21-31-43-28-20-26(13-16-29(28)45(31)2)37(52)46(30-10-6-7-18-41-30)19-17-32(48)54-39-35(51)33(49)34(50)38(55-39)53-22-24-8-4-3-5-9-24/h3-16,18,20,33-35,38-39,42,49-51H,17,19,21-22H2,1-2H3,(H2,40,44)/t33-,34-,35+,38-,39+/m0/s1

Additionnal Information

IUPAC name: (2S,3R,4S,5S,6S)-6-(benzyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl 3-(2-(((4-((Z)-N'-acetoxycarbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate