[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8da1447270134bedbebe6732d8113779.png "[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
37393-40-1
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Formula:
C31H43Cl2NO3
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Chemical Name:
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
37393-40-1;Androsterone ester of p-bis(2-chloroethyl)aminophenylacetic acid;Androsterone p-bis(2-chloroethyl)aminophenylacetate;DTXSID20958493;(3beta,5alpha)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-17-one;Androstan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta,5alpha)-;17-Oxoandrostan-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
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CAS No:
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
548.6 g/mol
547.2619996 g/mol
Computed Properties
Molecular Weight:548.6
XLogP3:7.2
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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