Dabigatran etexilate tetrahydrate

• Main Authors: Hong-Qiang Liu, Wei-Guang Zhang, Zhi-Qiang Cai, Wei-Ren Xu, Xiu-Ping Shen
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-12-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812046673

In the title compound, C34H41N7O5·4H2O (systematic name: ethyl 3-{[2-({4-[(Z)-amino(hexyloxycarbonylimino)methyl]anilino}methyl)-1-methylbenzimidazole-5-carbonyl]pyridin-2-ylamino}propanoate tetrahydrate), the benzene and pyridine rings form dihedral angles of 5.4 (1) and 43.8 (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756 (10):0.244 (10) ratio. There is an intramolecular N—H...O hydrogen bond present. In the crystal, the water molecules are involved in the formation of O—H...O, O—H...N and N—H...O hydrogen bonds, which link the components into layers parallel to the ab plane.