O-Benzoyl­naltrexone

In the title compound, C(27)H(27)NO(5) (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphin­an-6-yl benzoate), which is the benzoate ester of the opioid receptor antagonist naltrexone, the dihedral angle between the two phenyl rings is 77.1 (1)°. In the crystal, a weak aromatic C...

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Detalles Bibliográficos
Autores principales: Yang, Rui, Wang, Guo-Hai, Liu, Xia-Li, Wang, Dong, Li, Xiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770381/
https://www.ncbi.nlm.nih.gov/pubmed/24046666
http://dx.doi.org/10.1107/S1600536813016036
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author Yang, Rui
Wang, Guo-Hai
Liu, Xia-Li
Wang, Dong
Li, Xiang
author_facet Yang, Rui
Wang, Guo-Hai
Liu, Xia-Li
Wang, Dong
Li, Xiang
author_sort Yang, Rui
collection PubMed
description In the title compound, C(27)H(27)NO(5) (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphin­an-6-yl benzoate), which is the benzoate ester of the opioid receptor antagonist naltrexone, the dihedral angle between the two phenyl rings is 77.1 (1)°. In the crystal, a weak aromatic C—H⋯O(carbox­yl) hydrogen bond involving the benzoate groups of adjacent mol­ecules gives rise to a chain extending along the a-axis direction. The known absolute configuration for the mol­ecule was inferred from a previous naltrexone structure.
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spelling pubmed-37703812013-09-17 O-Benzoyl­naltrexone Yang, Rui Wang, Guo-Hai Liu, Xia-Li Wang, Dong Li, Xiang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(27)H(27)NO(5) (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphin­an-6-yl benzoate), which is the benzoate ester of the opioid receptor antagonist naltrexone, the dihedral angle between the two phenyl rings is 77.1 (1)°. In the crystal, a weak aromatic C—H⋯O(carbox­yl) hydrogen bond involving the benzoate groups of adjacent mol­ecules gives rise to a chain extending along the a-axis direction. The known absolute configuration for the mol­ecule was inferred from a previous naltrexone structure. International Union of Crystallography 2013-06-15 /pmc/articles/PMC3770381/ /pubmed/24046666 http://dx.doi.org/10.1107/S1600536813016036 Text en © Yang et al. 2013 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, Rui
Wang, Guo-Hai
Liu, Xia-Li
Wang, Dong
Li, Xiang
O-Benzoyl­naltrexone
title O-Benzoyl­naltrexone
title_full O-Benzoyl­naltrexone
title_fullStr O-Benzoyl­naltrexone
title_full_unstemmed O-Benzoyl­naltrexone
title_short O-Benzoyl­naltrexone
title_sort o-benzoyl­naltrexone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770381/
https://www.ncbi.nlm.nih.gov/pubmed/24046666
http://dx.doi.org/10.1107/S1600536813016036
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AT wangguohai obenzoylnaltrexone
AT liuxiali obenzoylnaltrexone
AT wangdong obenzoylnaltrexone
AT lixiang obenzoylnaltrexone

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