N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine Ethyl Ester

CAS: 1408238-40-3

Ref. TR-H298150

Product Information

• Name: N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine Ethyl Ester
• Synonyms: ß-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, ethyl N-[(2-{[(4-{[(hexyloxy)carbonyl]carbamoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl) carbonyl]-N-pyridin-2-yl-ß-alaninate, Dabigatran Etexilate Amid Analogon

Description

Applications N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester can be used as reference standards and markers. It can also be employed to analyze dabigatran eterxilate, dabigatran eterxilate mesylate, and its degraded products by various HPLC methods.
References Serra Miralles, J., et al.: Eur. Pat. Appl. EP 2522662 A1 20121114 (2012); Swain, D., et al.: Chromatographia 79 169 (2016); Balaji, S. K., et al.: Indian Pat. Appl. IN 2012MU03471 A 20140704 (2014)

• Brand: TRC

Chemical properties

• Molecular weight: 628.72
• Formula: C₃₄H₄₀N₆O₆
• Color/Form: Off-White
• InChI: InChI=1S/C34H40N6O6/c1-4-6-7-10-21-46-34(44)38-32(42)24-12-15-26(16-13-24)36-23-30-37-27-22-25(14-17-28(27)39(30)3)33(43)40(20-18-31(41)45-5-2)29-11-8-9-19-35-29/h8-9,11-17,19,22,36H,4-7,10,18,20-21,23H2,1-3H3,(H,38,42,44)
• InChI key: InChIKey=FZKPGDBVPFJTPG-UHFFFAOYSA-N
• SMILES: CCCCCCOC(=O)NC(=O)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1