Dabigatran-d7

CAS: 211914-51-1

Ref. TR-D100093

Product Information

• Name: Dabigatran-d7
• Synonyms: N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-ß-alanine-d7, BIBR 953-d7, BIBR 953ZW-d7, 3-[[2-[[(4-Carbamimidoylphenyl)Amino]Methyl]-1-Methyl-Benzoimidazole-5-Carbonyl]-Pyridin-2-Yl-Amino]Propanoic Acid, Bibr 953, Bibr 953Zw, Dabigatran, N-(2-(4-(N-(Hexyloxycarbonyl)Amidino)Phenylaminomethyl)-1-Methyl-1H-Benzimidazol-5-Ylcarbonyl)-N-(2-Pyridyl)-Beta-Alanine Ethyl Ester, N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine, beta-alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-

Description

Applications Dabigatran-d7, is the labeled analogue of Dabigatran (D100090), Nonpeptide, direct thrombin inhibitor. Antithrombotic.
References Hauel, N., et al.: J. Med. Chem., 45, 1757 (2002), Mungall, D., et al.: Curr. Opin. Invest. Drugs, 3, 095 (2002), Stangier, J., et al.: J. Clin. Pharmacol., 45, 555 (2005),

• Brand: TRC

Chemical properties

• Molecular weight: 478.55
• Formula: C₂₅H₁₈D₇N₇O₃
• Color/Form: Neat
• InChI: InChI=1S/C25H25N7O3/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)/i1D3,2D,3D,4D,12D
• InChI key: InChIKey=YBSJFWOBGCMAKL-FJZAZDKISA-N
• SMILES: [2H]c1nc(N(CCC(=O)O)C(=O)c2ccc3c(c2)nc(CNc2ccc(C(=N)N)cc2)n3C([2H])([2H])[2H])c([2H])c([2H])c1[2H]