[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide
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![[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/684f9063cdb64e15b7fe9165cab0d14c.png "[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide")
[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide
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CAS No:
17224-48-5
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Formula:
C27H44BrNO3
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Chemical Name:
[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide
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Synonyms:
17224-48-5;1-(2-beta-Hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methylpiperidinium bromide acetate;2-beta-Acetoxy-3-alpha-piperidino-5-alpha-androstan-17-one methobromide;Piperidinium, 1-(2-beta-hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methyl-, bromide, acetate;DTXSID90938106;2-(Acetyloxy)-3-(1-methylpiperidin-1-ium-1-yl)-17-oxoandrostane bromide
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CAS No:
[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate;bromide Basic Attributes
510.5 g/mol
509.25046 g/mol
Computed Properties
Molecular Weight:510.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:509.25046
Monoisotopic Mass:509.25046
Topological Polar Surface Area:43.4
Heavy Atom Count:32
Complexity:743
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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