Name: Dabigatran Acyl-β-D-Glucuronide-[d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015156

Molecular Formula: C31H30D3N7O9

Molecular Weight: 650.65

Chemical Structure

Description	Dabigatran Acyl-beta-D-Glucuronide-[d3] is the labelled metabolite of Dabigatran. Dabigatran is an anticoagulant used to treat and prevent blood clots and to prevent stroke in people with atrial fibrillation.
Synonyms	(2S,3S,4S,5R,6S)-6-((3-(2-(((4-Carbamimidoylphenyl)amino)methyl)-1-(methyl-d3)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; Dabigatran Acyl-beta-D-Glucuronide-D3; Dabigatran Acyl-β-D-Glucuronide-d3; N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine β-D-Glucopyranuronosyl Ester-d3
IUPAC Name	(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
Related CAS	1015167-40-4 (unlabelled)
Canonical SMILES	O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(CCN(C2=NC=CC=C2)C(C3=CC=C4N(C([2H])([2H])[2H])C(CNC5=CC=C(C(N)=N)C=C5)=NC4=C3)=O)=O)O1)O
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
InChI Key	CSZFDMHIDSUHPI-JEZNDFNLSA-N
Purity	>95%
Storage	Store at 2-8 °C