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Dabigatran-[d4] HCl

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Dabigatran-[d4] HCl

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General Information
Catalog: BLP-012290
CAS: 2070015-06-2
Molecular Formula: C25H21D4N7O3HCl
Molecular Weight: 512.0

Chemical Structure

Description	Dabigatran-[d4] HCl is a labelled analogue of Dabigatran. Dabigatran is a thrombin inhibitor used as an orally anticoagulant drug. It is used for the prevention of nonhemorrhagic strokes.
Synonyms	Dabigatran D4 HCl
IUPAC Name	3-[[2-[(4-carbamimidoyl-2,3,5,6-tetradeuterioanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid;hydrochloride
Related CAS	211914-51-1 (unlabelled free base)
Canonical SMILES	CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N.Cl
InChI	InChI=1S/C25H25N7O3.ClH/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27;/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34);1H/i5D,6D,8D,9D;
InChI Key	TXEOQXNVRMCTKM-WORMFLDLSA-N
Purity	98% by HPLC; 98% atom D
Storage	Store at -20°C