2-[[[4-[(Z)-Amino[[(hexyloxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid (>90%)

CAS: 1848337-06-3

Ref. TR-A611088

Product Information

• Name: 2-[[[4-[(Z)-Amino[[(hexyloxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid (>90%)
• Synonyms: Des-(3-(Pyridin-2-ylamino)propanoate) (N'-((Hexyloxy)carbonyl) Dabigatran

Description

Impurity Dabigatran Impurity
Stability Hygroscopic
Applications 2-[[[4-[(Z)-Amino[[(hexyloxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid is a degradation product of Dabigatran (D100090). which is a drug that is a nonpeptide, direct thrombin inhibitor and an 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: 451.5182
• Formula: C₂₄H₂₉N₅O₄
• Purity: >90%
• Color/Form: Neat
• InChI: InChI=1S/C24H29N5O4/c1-3-4-5-6-13-33-24(32)28-22(25)16-7-10-18(11-8-16)26-15-21-27-19-14-17(23(30)31)9-12-20(19)29(21)2/h7-12,14,26H,3-6,13,15H2,1-2H3,(H,30,31)(H2,25,28,32)
• InChI key: InChIKey=LWXRGDBPXSALBW-UHFFFAOYSA-N
• SMILES: CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)O)ccc3n2C)cc1