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Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure.

ABSTRACT: In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta-oxadocosan-22-yl)-oxy]-3,14-dihy-droxy-17-(prop-2-en-1-yl)-4,5-ep-oxy-morphinan-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 inter-actions. The resulting hydrogen-bonded two-dimensional layer structure is 3,5-connected and has the 3,5 L50 topology.

SUBMITTER: Gelbrich T

PROVIDER: S-EPMC5946971 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure.

Gelbrich Thomas T Langes Christoph C Stefinovic Marijan M Griesser Ulrich J UJ

Acta crystallographica. Section E, Crystallographic communications 20180309 Pt 4

In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta-oxadocosan-22-yl)-oxy]-3,14-dihy-droxy-17-(prop-2-en-1-yl)-4,5-ep-oxy-morphinan-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 io ...[more]

PMID: 29765749

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