[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f30b728122cf45a5801d0c91f25bd5c0.png "[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
24141-90-0
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Formula:
C31H41Cl2NO3
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Chemical Name:
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
3 beta-hydroxyandrost-5-en-17-one p-(bis(2-chloroethyl)amino)phenylacetate;NSC 112260;testosterone mustard;Dehydroepiandrosterone mustard;NSC-121210;24141-90-0;Testosterone mustard;(3beta)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androst-5-en-17-one;CHEMBL1995088;ZINC4825250;NSC121210;NSC 121210;Androst-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate;NCI60_000498;Androst-5-en-17-one, [p-[bis(2-chloroethyl)amino]phenyl]acetate;3.beta.-Hydroxyandrost-5-en-17-one-p-[bis(2-chloroethyl)aminophenyl]acetate;Androst-5-en-17-one, 3beta-hydroxy-, (p-(bis(2-chloroethyl)amino)phenyl)acetate (8CI)
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CAS No:
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
546.6 g/mol
545.2463496 g/mol
121210
Computed Properties
Molecular Weight:546.6
XLogP3:6.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:545.2463496
Monoisotopic Mass:545.2463496
Topological Polar Surface Area:46.6
Heavy Atom Count:37
Complexity:878
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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