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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018003675 |
| _version_ | 1819003575020290048 |
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| author | Thomas Gelbrich Christoph Langes Marijan Stefinovic Ulrich J. Griesser |
| author_facet | Thomas Gelbrich Christoph Langes Marijan Stefinovic Ulrich J. Griesser |
| author_sort | Thomas Gelbrich |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-20T23:23:10Z |
| format | Article |
| id | doaj.art-cdf060740b324eb2ba8d96c705706072 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T23:23:10Z |
| publishDate | 2018-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-cdf060740b324eb2ba8d96c7057060722022-12-21T19:23:28ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-04-0174447447710.1107/S2056989018003675fy2125Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structureThomas Gelbrich0Christoph Langes1Marijan Stefinovic2Ulrich J. Griesser3University of Innsbruck, Institute of Pharmacy, Innrain 52, 6020 Innsbruck, AustriaUniversity of Innsbruck, Institute of Pharmacy, Innrain 52, 6020 Innsbruck, AustriaSandoz GmbH, Biochemiestrasse 10, 6250 Kundl, AustriaUniversity of Innsbruck, Institute of Pharmacy, Innrain 52, 6020 Innsbruck, AustriaIn 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.http://scripts.iucr.org/cgi-bin/paper?S2056989018003675crystal structurehydrogen bondingtopologyoxalatepharmaceuticals |
| spellingShingle | Thomas Gelbrich Christoph Langes Marijan Stefinovic Ulrich J. Griesser Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure Acta Crystallographica Section E: Crystallographic Communications crystal structure hydrogen bonding topology oxalate pharmaceuticals |
| title | Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure |
| title_full | Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure |
| title_fullStr | Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure |
| title_full_unstemmed | Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure |
| title_short | Naloxegol hydrogen oxalate displaying a hydrogen-bonded layer structure |
| title_sort | naloxegol hydrogen oxalate displaying a hydrogen bonded layer structure |
| topic | crystal structure hydrogen bonding topology oxalate pharmaceuticals |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018003675 |
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