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Substance Name: Dabigatran etexilate [USAN:INN:BAN]
RN: 211915-06-9
UNII: 2E18WX195X
InChIKey: KSGXQBZTULBEEQ-UHFFFAOYSA-N

Note

  • A thrombin inhibitor.

Molecular Formula

  • C34-H41-N7-O5

Molecular Weight

  • 627.7419
 

Classification Codes

  • Anticoagulants
  • Antithrombins
  • Antithrombotic
  • Deep Vein Thrombosis After Surgery, Venous Thromboembolic Events, Stroke Prevention in Atrial Fibrillation
  • Enzyme Inhibitors
  • Factor Xa Inhibitors
  • Hematologic Agents
  • Protease Inhibitors
  • Serine Proteinase Inhibitors

Names and Synonyms

Name of Substance

  • Dabigatran etexilate
  • Dabigatran etexilate [USAN:INN:BAN]

Synonyms

  • beta-Alanine, N-((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester
  • BIBR 1048
  • BIBR 1048 BS RS1
  • Dabigatran etexilate
  • EC 606-722-8
  • Ethyl 3-(((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)(pyridin-2-yl)amino)propanoate
  • Pradax
  • Pradaxa
  • Prazaxa
  • UNII-2E18WX195X

Systematic Names

  • beta-Alanin,N-((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-ethylester
  • Ethyl 3-(((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)(pyridin-2-yl)amino)propanoate

Registry Numbers

CAS Registry Number

  • 211915-06-9

FDA UNII

  • 2E18WX195X

System Generated Number

  • 0211915069

Structure Descriptors

InChI

InChI=1S/C34H41N7O5/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/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)

InChIKey

KSGXQBZTULBEEQ-UHFFFAOYSA-N

Smiles

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