Eplerenone ethanol solvate

Eplerenone [systematic name: 7α-(methoxy­carbon­yl)-3-oxo-9α,11-ep­oxy-17α-pregn-4-ene-21,17-carbolactone], an aldo­sterone receptor antagonist, crystallizes from ethanol as a monosolvate, C(24)H(30)O(6)·C(2)H(6)O. The eplerenone mol­ecule has two five-membered rings, three six-membered rings and on...

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Autores principales: Yang, Qian, Ye, Wei-Dong, Yuan, Jian-Yong, Nie, Jing-Jing, Xu, Duan-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961083/
https://www.ncbi.nlm.nih.gov/pubmed/21202318
http://dx.doi.org/10.1107/S1600536808009240
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author Yang, Qian
Ye, Wei-Dong
Yuan, Jian-Yong
Nie, Jing-Jing
Xu, Duan-Jun
author_facet Yang, Qian
Ye, Wei-Dong
Yuan, Jian-Yong
Nie, Jing-Jing
Xu, Duan-Jun
author_sort Yang, Qian
collection PubMed
description Eplerenone [systematic name: 7α-(methoxy­carbon­yl)-3-oxo-9α,11-ep­oxy-17α-pregn-4-ene-21,17-carbolactone], an aldo­sterone receptor antagonist, crystallizes from ethanol as a monosolvate, C(24)H(30)O(6)·C(2)H(6)O. The eplerenone mol­ecule has two five-membered rings, three six-membered rings and one three-membered ring. Both five-membered rings display envelope conformations, while the three six-membered rings assume envelope (cyclohexene), half-chair (cyclohexane sharing one edge with epoxy) and chair (other cyclohexane) conformations. The solvent mol­ecule is disordered equally over two sites. It is linked to the eplerenone mol­ecule by hydrogen bonds.
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spelling pubmed-29610832010-12-30 Eplerenone ethanol solvate Yang, Qian Ye, Wei-Dong Yuan, Jian-Yong Nie, Jing-Jing Xu, Duan-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers Eplerenone [systematic name: 7α-(methoxy­carbon­yl)-3-oxo-9α,11-ep­oxy-17α-pregn-4-ene-21,17-carbolactone], an aldo­sterone receptor antagonist, crystallizes from ethanol as a monosolvate, C(24)H(30)O(6)·C(2)H(6)O. The eplerenone mol­ecule has two five-membered rings, three six-membered rings and one three-membered ring. Both five-membered rings display envelope conformations, while the three six-membered rings assume envelope (cyclohexene), half-chair (cyclohexane sharing one edge with epoxy) and chair (other cyclohexane) conformations. The solvent mol­ecule is disordered equally over two sites. It is linked to the eplerenone mol­ecule by hydrogen bonds. International Union of Crystallography 2008-04-10 /pmc/articles/PMC2961083/ /pubmed/21202318 http://dx.doi.org/10.1107/S1600536808009240 Text en © Yang et al. 2008 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
Yang, Qian
Ye, Wei-Dong
Yuan, Jian-Yong
Nie, Jing-Jing
Xu, Duan-Jun
Eplerenone ethanol solvate
title Eplerenone ethanol solvate
title_full Eplerenone ethanol solvate
title_fullStr Eplerenone ethanol solvate
title_full_unstemmed Eplerenone ethanol solvate
title_short Eplerenone ethanol solvate
title_sort eplerenone ethanol solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961083/
https://www.ncbi.nlm.nih.gov/pubmed/21202318
http://dx.doi.org/10.1107/S1600536808009240
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AT yuanjianyong eplerenoneethanolsolvate
AT niejingjing eplerenoneethanolsolvate
AT xuduanjun eplerenoneethanolsolvate

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