[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b4a64863d5564e0da2178f3a35ff3288.png "[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
110312-92-0
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Formula:
C33H46Cl2N2O3
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Chemical Name:
[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
17-acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate;AABCAP;Aabcap;110312-92-0;DTXSID70911578;17-Acetamido-5-androsten-3-ol-4-bis(2-chloroethyl)aminophenylacetate;[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate;N-{3-[({4-[Bis(2-chloroethyl)amino]phenyl}acetyl)oxy]androst-5-en-17-yl}ethanimidic acid;Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (3beta,17beta)-17-(acetylamino)androst-5-en-3-yl ester
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CAS No:
[(3S,10R,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
589.6 g/mol
588.2885487 g/mol
Computed Properties
Molecular Weight:589.6
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:588.2885487
Monoisotopic Mass:588.2885487
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:944
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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