Desethyl Dabigatran Etexilate Carboxamide

CAS: 1580491-16-2

Ref. TR-D290540

Product Information

• Name: Desethyl Dabigatran Etexilate Carboxamide
• Synonyms: N-[[4-[[[5-[[(3-Amino-3-oxopropyl)-2-pyridinylamino]carbonyl]-1-methyl-1H-benzimidazol-2-yl]methyl]amino]phenyl]iminomethyl]-carbamic Acid Hexyl Ester

Description

Stability Moisture Sensitive
Applications Desethyl Dabigatran Etexilate Carboxamide is an impurity of Dabigatran (D100090) which is a nonpeptide, direct thrombin inhibitor.
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: 598.7
• Formula: C₃₂H₃₈N₈O₄
• Color/Form: White Solid
• InChI: InChI=1S/C32H38N8O4/c1-3-4-5-8-19-44-32(43)38-30(34)22-10-13-24(14-11-22)36-21-29-37-25-20-23(12-15-26(25)39(29)2)31(42)40(18-16-27(33)41)28-9-6-7-17-35-28/h6-7,9-15,17,20,36H,3-5,8,16,18-19,21H2,1-2H3,(H2,33,41)(H2,34,38,43)
• InChI key: InChIKey=QQTDTILRFNZOGU-UHFFFAOYSA-N
• SMILES: CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(N)=O)c4ccccn4)ccc3n2C)cc1