[(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] 4-[bis(2-chloroethyl)amino]benzoate
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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] 4-[bis(2-chloroethyl)amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cf87e0eeda104cee8911da9bdcbc90e8.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] 4-[bis(2-chloroethyl)amino]benzoate")
[(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] 4-[bis(2-chloroethyl)amino]benzoate
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CAS No:
157757-77-2
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Formula:
C30H40Cl2N2O3
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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] 4-[bis(2-chloroethyl)amino]benzoate
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Synonyms:
157757-77-2;17-((4-(Bis(2-chloroethyl)amino)benzoyl)oxy)-3-aza-A-homoandrost-4A-en-4-one;(17-beta)-17-((4-(Bis(2-chloroethyl)amino)benzoyl)oxy)-3-aza-A-homoandrost-4a-en-4-one;3-Aza-A-homoandrost-4a-en-4-one, 17-((4-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (17-beta)-;DTXSID90935791;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]benzoate
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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] 4-[bis(2-chloroethyl)amino]benzoate Basic Attributes
547.6 g/mol
546.2415985 g/mol
Computed Properties
Molecular Weight:547.6
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:546.2415985
Monoisotopic Mass:546.2415985
Topological Polar Surface Area:58.6
Heavy Atom Count:37
Complexity:882
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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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] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
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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] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
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[(4aS,4bR,8S,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-[bis(2-chloroethyl)amino]benzoate
157757-71-6
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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-[bis(2-chloroethyl)amino]benzoate Formula
157757-68-1
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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 Formula
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