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(5Alpha,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium Bromide

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For Research Use Only | Not For Clinical Use
CATAPS1252784807
CAS1252784-80-7
SynonymsMorphinanium, 3-(acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxo-, bromide (1:1), (5α,17S)-, (5α,17S)-3-(Acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-17-methyl-6-oxomorphinanium bromide, (S)-3-O-Acetylnaltrexone methyl bromide, (17S)-3-O-Acetyl-17-N-methylnaltrexone bromide, (S)-3-O-Acetylnaltrexone methobromide
IUPAC Name[(3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-9-yl] acetate;bromide
Molecular Weight478.38
Molecular FormulaC23H28NO5.Br
Canonical SMILES[Br-].CC(=O)Oc1ccc2C[C@@H]3[C@]4(O)CCC(=O)[C@@H]5Oc1c2[C@]45CC[N@@+]3(C)CC6CC6
InChIInChI=1S/C23H28NO5.BrH/c1-13(25)28-17-6-5-15-11-18-23(27)8-7-16(26)21-22(23,19(15)20(17)29-21)9-10-24(18,2)12-14-3-4-14
Accurate Mass477.1151
FormatNeat
SubcategoryChiral molecules
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