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Substance Name: Dabigatran 1-acylglucuronide
RN: 1015167-40-4
UNII: U53A719N8O
InChIKey: CSZFDMHIDSUHPI-KWONYSJQSA-N

Molecular Formula

  • C31-H33-N7-O9

Molecular Weight

  • 647.6417
 
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Names and Synonyms

Name of Substance

  • Dabigatran 1-acylglucuronide

Synonyms

  • (2S,3S,4S,5R,6S)-6-(3-((2-((4-Carbamimidoylanilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 1-O-(3-(((2-(((4-(Amino(iminio)methyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)(2-pyridinyl)amino)propanoyl)-beta-D-glucopyranuronate
  • beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, beta-D-glucopyranuronosyl ester
  • beta-D-Glucopyranuronic acid, 1-O-(N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanyl)-
  • Dabigatran 1-acylglucuronide
  • Dabigatran acyl-beta-D-glucuronide
  • Dabigatran metabolite M-648
  • N-((2-(((4-(Aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanine beta-D-glucopyranuronosyl ester
  • UNII-U53A719N8O

Registry Numbers

CAS Registry Number

  • 1015167-40-4

FDA UNII

  • U53A719N8O

System Generated Number

  • 1015167404

Structure Descriptors

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

InChIKey

CSZFDMHIDSUHPI-KWONYSJQSA-N

Smiles

Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccn5