[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bcc751c1cf71431e80e93de439db97ce.png "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
22966-80-9
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Formula:
C31H41Cl2NO3
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Chemical Name:
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
22966-80-9;NSC112260;Testosterone nitrogen mustard;Testosterone, [p-[bis(2-chloroethyl)amino]phenyl]acetate;DTXSID60945665;ZINC4824076;NSC-112260;3-Oxoandrost-4-en-17-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate
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CAS No:
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
546.6 g/mol
545.2463496 g/mol
112260
Computed Properties
Molecular Weight:546.6
XLogP3:6.8
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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