Analyte Name

Dabigatran Acyl-beta-D-Glucuronide-d3

Molecular Formula

C31 D3 H30 N7 O9

Molecular Weight

650.654

Accurate Mass

650.253

SMILES

[2H]C([2H])([2H])n1c(CNc2ccc(cc2)C(=N)N)nc3cc(ccc13)C(=O)N(CCC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c5ccccn5

InChI

InChI=1S/C31H33N7O9/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/h2-10,12,14,24-27,31,35,40-42H,11,13,15H2,1H3,(H3,32,33)(H,44,45)/t24-,25-,26+,27-,31+/m0/s1/i1D3

IUPAC

(2S,3S,4S,5R,6S)-6-[3-[[2-[(4-carbamimidoylanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

1015167-40-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat