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Substance Name: Dabigatran etexilate mesylate [USAN]
RN: 872728-81-9
UNII: SC7NUW5IIT
InChIKey: XETBXHPXHHOLOE-UHFFFAOYSA-N

Note

  • A thrombin inhibitor.

Classification Code

  • Deep Vein Thrombosis After Surgery, Venous Thromboembolic Events, Stroke Prevention in Atrial Fibrillation

Molecular Formula

  • C34-H41-N7-O5.C-H4-O3-S

Molecular Weight

  • 723.8475
 

Names and Synonyms

Name of Substance

  • Dabigatran etexilate mesylate [USAN]

Synonyms

  • BIBR 1048 MS
  • BIBR 1048MS
  • Dabigatran etexilate mesylate
  • Ethyl 3-(((2-(((4-(((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)(pyridin-2-yl)amino)propanoate, methanesulfonate
  • Pradaxa
  • UNII-SC7NUW5IIT

Systematic Name

  • beta-Alanine, N-((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester, methanesulfonate

Registry Numbers

CAS Registry Number

  • 872728-81-9

FDA UNII

  • SC7NUW5IIT

Other Registry Number

  • 593282-20-3

System Generated Number

  • 0872728819

Structure Descriptors

InChI

InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4)

InChIKey

XETBXHPXHHOLOE-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4)cc1.CS(=O)(=O)O