4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate

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 mol­ecules and half-occupied methanol and water mol­ecules. It is isomorphous with the previou...

Descripción completa

Detalles Bibliográficos
Autores principales: Bartolucci, Gianluca, Bruni, Bruno, Coran, Silvia A., Di Vaira, Massimo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977669/
https://www.ncbi.nlm.nih.gov/pubmed/21584012
http://dx.doi.org/10.1107/S160053680901160X
_version_ 1782191159865507840
author Bartolucci, Gianluca
Bruni, Bruno
Coran, Silvia A.
Di Vaira, Massimo
author_facet Bartolucci, Gianluca
Bruni, Bruno
Coran, Silvia A.
Di Vaira, Massimo
author_sort Bartolucci, Gianluca
collection PubMed
description 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 mol­ecules and half-occupied methanol and water mol­ecules. It is isomorphous with the previously reported nonsolvated T–II form of torasemide. The water mol­ecules 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 mol­ecules of torasemide form inversion dimers in the crystal.
format Text
id pubmed-2977669
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29776692010-12-30 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate Bartolucci, Gianluca Bruni, Bruno Coran, Silvia A. Di Vaira, Massimo Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecules and half-occupied methanol and water mol­ecules. It is isomorphous with the previously reported nonsolvated T–II form of torasemide. The water mol­ecules 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 mol­ecules of torasemide form inversion dimers in the crystal. International Union of Crystallography 2009-04-08 /pmc/articles/PMC2977669/ /pubmed/21584012 http://dx.doi.org/10.1107/S160053680901160X Text en © Bartolucci et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Bartolucci, Gianluca
Bruni, Bruno
Coran, Silvia A.
Di Vaira, Massimo
4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title_full 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title_fullStr 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title_full_unstemmed 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title_short 4-(3-Methyl­anilino)-N-[N-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
title_sort 4-(3-methyl­anilino)-n-[n-(1-methyl­ethyl)carbamo­yl]pyridinium-3-sulfon­amidate (torasemide) methanol 0.25-solvate 0.25-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977669/
https://www.ncbi.nlm.nih.gov/pubmed/21584012
http://dx.doi.org/10.1107/S160053680901160X
work_keys_str_mv AT bartoluccigianluca 43methylanilinonn1methylethylcarbamoylpyridinium3sulfonamidatetorasemidemethanol025solvate025hydrate
AT brunibruno 43methylanilinonn1methylethylcarbamoylpyridinium3sulfonamidatetorasemidemethanol025solvate025hydrate
AT coransilviaa 43methylanilinonn1methylethylcarbamoylpyridinium3sulfonamidatetorasemidemethanol025solvate025hydrate
AT divairamassimo 43methylanilinonn1methylethylcarbamoylpyridinium3sulfonamidatetorasemidemethanol025solvate025hydrate

Ejemplares similares