[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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![[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4f8c01d6678546da85dc699ae454abfd.png "[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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CAS No:
110320-70-2
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Formula:
C33H48Cl2N2O3
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Chemical Name:
[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
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Synonyms:
17-acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate;AACEAP;Aaceap;110320-70-2;DTXSID80911584;17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate;(3beta,5alpha,17beta)-17-(Acetylamino)androstan-3-yl 4-(bis(2-chloroethyl)amino)benzeneacetate;[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate;N-{3-[({4-[Bis(2-chloroethyl)amino]phenyl}acetyl)oxy]androstan-17-yl}ethanimidic acid;Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (3beta,5alpha,17beta)-17-(acetylamino)androstan-3-yl ester
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CAS No:
[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes
591.6 g/mol
590.3041988 g/mol
Computed Properties
Molecular Weight:591.6
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:590.3041988
Monoisotopic Mass:590.3041988
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:889
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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