(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide
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![(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9b55d957e40f428495728d6878ac335a.png "(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide")
(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide
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CAS No:
29847-80-1
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Formula:
C22H38BrNO2
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Chemical Name:
(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide
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Synonyms:
Paravallarinol hydrobromide;29847-80-1;3-beta-Methylaminopregn-5-ene-18,20-diol hydrobromide;18,20-Dihydroxy-3-beta-methylaminopregn-5-ene hydrobromide;Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrobromide;DTXSID20952299;Pregn-5-ene-18,20alpha-diol, 3beta-(methylamino)-, hydrobromide;3-(Methylamino)pregn-5-ene-18,20-diol--hydrogen bromide (1/1)
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CAS No:
(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;hydrobromide Basic Attributes
428.4 g/mol
427.20859 g/mol
Computed Properties
Molecular Weight:428.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:427.20859
Monoisotopic Mass:427.20859
Topological Polar Surface Area:52.5
Heavy Atom Count:26
Complexity:546
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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