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dabigatran etexilate

CHEBI:CHEBI_70746

Definition

An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amino group of ethyl N-pyridin-2-yl-beta-alaninate. A prodrug for dabigatran, a thrombin inhibitor and anticoagulant which is used for the prevention of stroke and systemic embolism.

Chemical Information

Molecular Formula
C34H41N7O5
Molecular Mass
627.73320
Charge
0
SMILES
CCCCCCOC(=O)\N=C(\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1
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

Alternative Names

  • dabigatran etexilate
  • ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1037042
oboInOwl#hasDbXref
Reaxys:15496119
core#notation
CHEBI:70746

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1037042
oboInOwl#hasDbXref
Reaxys:15496119
oboInOwl#id
CHEBI:70746
core#notation
CHEBI:70746
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_65232
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chebi#has_functional_parent
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chebi#is_conjugate_base_of
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http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect33199
chebi#is_conjugate_acid_of
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owl#annotatedSource
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