Substance

ID:1845032

Names and Identifiers
Synonyms
dabigatran etexilate
International Nonproprietary Name (INN)
dabigatran etexilate
IUPAC name
ethyl 3-(1-{2-[({4-[(E)-amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate
IUPAC Traditional name
ethyl 3-(1-{2-[({4-[(E)-amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate
Registration numbers
PubChem CID
9578572
CAS Number
211915-06-9
Reaxys Registry
15496119
ACToR Database
211915-06-9
BKMS React Database
40386167472
BRENDA Database
3.4.21.63.4.21.5
BRENDA Ligand Database
40386167472
CompTox Database
DTXSID4057681
SureChEMBL Database
SCHEMBL505829
HMDB Database
HMDB0015641
Drug Central Database
776
BindingDB Database
50432209
KEGG DRUG Database
D07144
CHEBI ID
CHEBI:70746
PubChem SID
160646034
Properties
No Data Available
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Molecule Details
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.
Molecular Spectra
No Data Available
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References
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