Dabigatran Acyl-O3-D-Glucuronide Trifluoroacetic Acid Salt
Product Specifications
Synonyms
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine 3-Ester with β-D-Glucopyranuronic Acid
Hazard Statement
No Data Available
Smiles
O=C(N(C1=NC=CC=C1)CCC(O[C@@H]([C@@H]([C@H](OC2O)C(O)=O)O)[C@H]2O)=O)C3=CC=C4C(N=C(N4C)CN(C5=CC=C(C=C5)C(N)=N)[H])=C3.FC(F)(C(O)=O)F
Molecular Formula
C33H34F3N7O11
Molecular Weight
761.67
InChI
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(42)38(21-4-2-3-12-34-21)13-11-23(39)46-26-24(40)27(30(43)44)47-31(45)25(26)41;3-2(4,5)1(6)7/h2-10,12,14,24-27,31,35,40-41,45H,11,13,15H2,1H3,(H3,32,33)(H,43,44);(H,6,7)/t24-,25+,26-,27-,31?;/m0./s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R)-4-((3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoyl)oxy)-3,5,6-trihydroxytetrahydro-2H-pyran-2-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)
Shipping Conditions
Room Temperature
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