[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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![[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3500d9be3d343139dd2bcf58742678e.png "[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate")
[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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CAS No:
107480-21-7
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Formula:
C33H46Cl2N2O3
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Chemical Name:
[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-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-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate;HAEL-chlorambucil;Hael-chlorambucil;107480-21-7;DTXSID20910339;3-Hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate;17a-Aza-D-homoandrost-5-en-17-one, 3-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (3beta)-;2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
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CAS No:
[(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Basic Attributes
589.6 g/mol
588.2885487 g/mol
Drug Information
3-hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
Computed Properties
Molecular Weight:589.6
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:588.2885487
Monoisotopic Mass:588.2885487
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:929
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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