Products 211914-51-1

CAS 211914-51-1 appears in our catalog under these names: Dabigatran, Dabigatran/ 98.7% (existing batch purity), BIBR 953 (Dabigatran, Pradaxa), Dabigatran, >95.0%(HPLC), Dabigatran 98%. Offered by: Chemat Brand, TRC, Mikromol, TargetMol, GLPBio. Available pack sizes: on request, 10mg, 1mg, 5mg, 25mg, 2mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

Dabigatran is an aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism. It has a role as an anticoagulant, an EC 3.4.21.5 (thrombin) inhibitor and an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor. It is a member of benzimidazoles, a beta-alanine derivative, a member of pyridines, a carboxamidine and an aromatic amide.

Source: ChEBI

Identity
Molecular formulaC25H25N7O3
Molecular weight471.5 g/mol
IUPAC name3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
InChIKeyYBSJFWOBGCMAKL-UHFFFAOYSA-N
SMILESCN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

Computed by PubChem (NCBI)