[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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![[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5e5f66714a904f88b4ddb8b4aa96afc0.png "[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate")
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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CAS No:
68426-41-5
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Formula:
C33H48Cl2N2O3
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Chemical Name:
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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Synonyms:
3-hydroxy-13,17-secoandrostan-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate;HSAL-chlorambucil;68426-41-5;Hsal-chlorambucil;DTXSID30988044;3-Hydroxy-13,17-secoandrostan-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate;17a-Aza-D-homoandrostan-17-one, 3-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (3beta,5alpha)-;2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]quinolin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
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CAS No:
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Basic Attributes
591.6 g/mol
590.3041988 g/mol
Drug Information
3-hydroxy-13,17-secoandrostan-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
Computed Properties
Molecular Weight:591.6
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:590.3041988
Monoisotopic Mass:590.3041988
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:874
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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