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O-Benzoyl-naltrexone.

ABSTRACT: In the title compound, C27H27NO5 (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphin-an-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⋯Ocarbox-yl hydrogen bond involving the benzoate groups of adjacent mol-ecules gives rise to a chain extending along the a-axis direction. The known absolute configuration for the mol-ecule was inferred from a previous naltrexone structure.

SUBMITTER: Yang R

PROVIDER: S-EPMC3770381 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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O-Benzoyl-naltrexone.

Yang Rui R Wang Guo-Hai GH Liu Xia-Li XL Wang Dong D Li Xiang X

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

In the title compound, C27H27NO5 (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphin-an-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⋯Ocarbox-yl hydrogen bond involving the benzoate groups of adjacent mol-ecules gives rise to a chain extending along the a-axis direction. The known absolute configuration for the mol-ecule was inferred f ...[more]

PMID: 24046666

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