Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure

In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-heptaoxadocosan-22-yl)oxy]-3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium hydrogen oxalate, C34H54NO11+·C2HO4− the polyether unit of the naloxegol cation adopts the shape of a squashed open letter `O'. In the crystal, the hydrogen oxalate...

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Bibliographic Details
Main Authors: Thomas Gelbrich, Christoph Langes, Marijan Stefinovic, Ulrich J. Griesser
Format: Article
Language:English
Published: International Union of Crystallography 2018-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018003675
Description
Summary:In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-heptaoxadocosan-22-yl)oxy]-3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium hydrogen oxalate, C34H54NO11+·C2HO4− the polyether unit of the naloxegol cation adopts the shape of a squashed open letter `O'. In the crystal, the hydrogen oxalate anions are linked into a chain by O—H...O hydrogen bonds. Each naloxegol unit is hydrogen bonded to three hydrogen oxalate ions via two O—H...O and one N—H...O interactions. The resulting hydrogen-bonded two-dimensional layer structure is 3,5-connected and has the 3,5 L50 topology.
ISSN:2056-9890