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Methylnaltrexone bromide methanol monosolvate
In the title compound [systematic name: (4R,4aS,7aR,12bS)-3-cyclopropylmethyl-4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide methanol monosolvate], C(21)H(26)NO(4) (+)·Br(−)·CH(3)OH, two of the three six-membered rings adopt chair confor...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297887/ https://www.ncbi.nlm.nih.gov/pubmed/22412690 http://dx.doi.org/10.1107/S1600536812005545 |
Sumario: | In the title compound [systematic name: (4R,4aS,7aR,12bS)-3-cyclopropylmethyl-4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide methanol monosolvate], C(21)H(26)NO(4) (+)·Br(−)·CH(3)OH, two of the three six-membered rings adopt chair conformations while the third, which contains a C=C double bond, adopts an approximate half-boat conformation. The 2,3-dihydrofuran ring adopts an envelope conformation. In the crystal, the components are linked by O—H⋯O and O—H⋯Br hydrogen bonds. The absolute stereochemistry was inferred from one of the starting materials. |
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