[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
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![[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ff8ec997b88e4d15ad02ce03bb42d1a1.png "[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate")
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
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CAS No:
89043-18-5
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Formula:
C31H42Cl2N2O4
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Chemical Name:
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
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Synonyms:
17 beta-hydroxy-3-aza-A-homo-4 alpha-androsten-4-one-p-N,N-bis(2-chloroethyl)aminophenoxyacetate;17-hydroxy-3-aza-A-homo-4-androsten-4--one-4-N,N-bis(2-chloroethyl)aminophenoxyacetate;NSC 620480;NSC-620480;89043-18-5;NSC-620480;NSC 620480;DTXSID001008625;17-Hydroxy-3-aza-A-homo-4-androsten-4-one-4-N,N-bis(2-chloroethyl)aminophenoxyacetate;17beta-Hydroxy-3-aza-A-homo-4alpha-androsten-4-one-p-bis(2-chloroethyl)aminophenoxyacetate;2-Hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl {4-[bis(2-chloroethyl)amino]phenoxy}acetate;3-Aza-A-homoandrost-4a-en-4-one, 17-(((4-(bis(2-chloroethyl)amino)phenoxy)acetyl)oxy)-, (17beta)-
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CAS No:
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate Basic Attributes
577.6 g/mol
576.2521632 g/mol
Drug Information
17 beta-hydroxy-3-aza-A-homo-4 alpha-androsten-4-one-p-N,N-bis(2-chloroethyl)aminophenoxyacetate
Computed Properties
Molecular Weight:577.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:576.2521632
Monoisotopic Mass:576.2521632
Topological Polar Surface Area:67.9
Heavy Atom Count:39
Complexity:916
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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