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4-(3-Methyl-anilino)-N-[N-(1-methyl-ethyl)carbamo-yl]pyridinium-3-sulfon-amidate (torasemide) methanol 0.25-solvate 0.25-hydrate.


ABSTRACT: The title compound, C(16)H(20)N(4)O(3)S·0.25CH(4)O·0.25H(2)O, is a hydrate/methanol solvate of torasemide, a diuretic drug used in the treatment of hypertension. The asymmetric unit contains two torasemide mol-ecules and half-occupied methanol and water mol-ecules. It is isomorphous with the previously reported nonsolvated T-II form of torasemide. The water mol-ecules contribute to the stability of the structure by participating in an extensive system of O-H?O hydrogen bonds; N-H?N and N-H?O hydrogen bonds are also present. Both asymmetric mol-ecules of torasemide form inversion dimers in the crystal.

SUBMITTER: Bartolucci G 

PROVIDER: S-EPMC2977669 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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4-(3-Methyl-anilino)-N-[N-(1-methyl-ethyl)carbamo-yl]pyridinium-3-sulfon-amidate (torasemide) methanol 0.25-solvate 0.25-hydrate.

Bartolucci Gianluca G   Bruni Bruno B   Coran Silvia A SA   Di Vaira Massimo M  

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5


The title compound, C(16)H(20)N(4)O(3)S·0.25CH(4)O·0.25H(2)O, is a hydrate/methanol solvate of torasemide, a diuretic drug used in the treatment of hypertension. The asymmetric unit contains two torasemide mol-ecules and half-occupied methanol and water mol-ecules. It is isomorphous with the previously reported nonsolvated T-II form of torasemide. The water mol-ecules contribute to the stability of the structure by participating in an extensive system of O-H⋯O hydrogen bonds; N-H⋯N and N-H⋯O hyd  ...[more]

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