Dabigatran Etexilate-d11

CAS: 211915-06-9

Ref. TR-D100142

Product Information

• Name: Dabigatran Etexilate-d11
• Synonyms: N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine Ethyl Ester-d11, BIBR 1048-d11, Prazaxa-d11, Alanine,N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-,ethyl ester, Bibr-1048, Bibr-1048Ms, Dabigatran etexilate, Dabigatran etexilate mesylate base, Dabigatran free base, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine, ethyl ester, Pradaxa, Prazaxa, ethyl N-[(2-{[(4-{[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate, β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, β-Alanine,N-[[2-[[[4-[[[(hexyloxy)carbonyl] amino]iminomethyl] phenyl]amino] methyl]-1-methyl-1H-bezimidazol-5-yl]carbonyl]-N-2-pridinyl-ethyl ester
• CAS: 211915-06-9

Description

Stability Hygroscopic
Applications Labeled Dabigatran Etexilate-d11, an oral anticoagulant and direct thrombin inhibitor.
References Mangiafico, R. et al.: Curr. Med. Chem., 19, 4688 (2012); Hu, Z. et al.: Anal. Bioanal. Chem., 405, 1695 (2013);

• Brand: TRC

Chemical properties

• Molecular weight: 638.8
• Formula: C₃₄H₃₀D₁₁N₇O₅
• Color/Form: White to Off-White Solid
• 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)/i1D3,4D2,6D2,7D2,10D2
• InChI key: InChIKey=KSGXQBZTULBEEQ-XMNFAPRZSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])COC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1