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Dabigatran etexilate tetra­hydrate

In the title compound, C(34)H(41)N(7)O(5)·4H(2)O (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...

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Detalles Bibliográficos
Autores principales: Liu, Hong-Qiang, Zhang, Wei-Guang, Cai, Zhi-Qiang, Xu, Wei-Ren, Shen, Xiu-Ping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588980/
https://www.ncbi.nlm.nih.gov/pubmed/23476216
http://dx.doi.org/10.1107/S1600536812046673
Descripción
Sumario:In the title compound, C(34)H(41)N(7)O(5)·4H(2)O (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.