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Methyl-naltrexone bromide methanol monosolvate.

ABSTRACT: IN THE TITLE COMPOUND [SYSTEMATIC NAME: (4R,4aS,7aR,12bS)-3-cyclo-propyl-meth-yl-4a,9-hy-droxy-7-oxo-2,3,4,4a,5,6,7,7a-octa-hydro-1H-4,12-methano-benzofuro[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-dihydro-furan 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.

SUBMITTER: Li G

PROVIDER: S-EPMC3297887 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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Methyl-naltrexone bromide methanol monosolvate.

Li Guoqing G Cai Xu X Zheng Zhibing Z Zhou Xinbo X Li Song S

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

IN THE TITLE COMPOUND [SYSTEMATIC NAME: (4R,4aS,7aR,12bS)-3-cyclo-propyl-meth-yl-4a,9-hy-droxy-7-oxo-2,3,4,4a,5,6,7,7a-octa-hydro-1H-4,12-methano-benzofuro[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-dihydro-furan ring adopts an envelope conformation. In the crystal, the components are ...[more]

PMID: 22412690

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