title: 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.
authors.affiliation: Department of Pharmacology, Technical Center, Jiangsu Nhwa Pharma Corporation, Zhongshan Road No. 289, Xuzhou 221009, People's Republic of China.
authors.forename: Rui
authors.initials: R
authors.lastname: Yang
authors.forename: Guo-Hai
authors.initials: GH
authors.lastname: Wang
authors.forename: Xia-Li
authors.initials: XL
authors.lastname: Liu
authors.forename: Dong
authors.initials: D
authors.lastname: Wang
authors.forename: Xiang
authors.initials: X
authors.lastname: Li
references.citation: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references.pmid: 18156677
references.citation: Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o827
references.pmid: 22412690