[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4da7018d236447ff8a111e52985798c2.png "[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
104730-58-7
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Formula:
C31H43Cl2NO3
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Chemical Name:
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
androstane-17-ol-3-one n-di(2-chloroethyl)aminophenylacetate;testiphenon;Testiphenone;UNII-3U50JYF0B9;3U50JYF0B9;104730-58-7;Testiphenon;(5-alpha,17-beta)-17-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one;(5alpha,17beta)-17-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one;DTXSID10909156;Androstan-3-one, 17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (5-alpha,17-beta)-;Androstan-3-one, 17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (5alpha,17beta)-;[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate;Androstane-17-ol-3-one n-di(2-chloroethyl)aminophenylacetate;3-Oxoandrostan-17-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
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CAS No:
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
548.6 g/mol
547.2619996 g/mol
3U50JYF0B9
Computed Properties
Molecular Weight:548.6
XLogP3:7.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:547.2619996
Monoisotopic Mass:547.2619996
Topological Polar Surface Area:46.6
Heavy Atom Count:37
Complexity:823
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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