4-(3-Methylanilino)-N-[N-(1-methylethyl)carbamoyl]pyridinium-3-sulfonamidate (torasemide) methanol 0.25-solvate 0.25-hydrate
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چکیده
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.
منابع مشابه
4-(3-Methylanilino)-N-[N-(1-methylethyl)carbamoyl]pyridinium-3-sulfonamidate (torasemide T–N): a low temperature redetermination
The structure [Danilovski et al. (2001 ▶). Croat. Chim. Acta74, 103-120] of the T-N (non-solvated) polymorph of torasemide, C(16)H(20)N(4)O(3)S, a diuretic drug used in the treatment of hypertension, has been redetermined at low temperature. The zwitterionic form of the mol-ecule is confirmed, although GAUSSIAN03 calculations suggest that this form is less stable in the gas phase. The unit-cell...
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