[(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] 2-[bis(2-chloroethyl)amino]benzoate
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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] 2-[bis(2-chloroethyl)amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1d9900823a044706a170846412a51bf3.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] 2-[bis(2-chloroethyl)amino]benzoate")
[(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] 2-[bis(2-chloroethyl)amino]benzoate
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CAS No:
157757-66-9
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Formula:
C30H42Cl2N2O3
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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] 2-[bis(2-chloroethyl)amino]benzoate
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Synonyms:
3-hydroxy-13-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 2-N,N-bis(2-chloroethyl)aminobenzoate;oBSE cpd;157757-66-9;3-((2-(Bis(2-chloroethyl)amino)benzoyl)oxy)-, (3beta,5alpha)-17a-aza-D-homoandrostan-17-one;17a-Aza-D-homoandrostan-17-one, 3-((2-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-beta,5-alpha)-;DTXSID80935785;3-Hydroxy-13-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 2-N,N-bis(2-chloroethyl)aminobenzoate;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 2-[bis(2-chloroethyl)amino]benzoate
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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] 2-[bis(2-chloroethyl)amino]benzoate Basic Attributes
549.6 g/mol
548.2572486 g/mol
Drug Information
3-hydroxy-13-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 2-N,N-bis(2-chloroethyl)aminobenzoate
Computed Properties
Molecular Weight:549.6
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:548.2572486
Monoisotopic Mass:548.2572486
Topological Polar Surface Area:58.6
Heavy Atom Count:37
Complexity:836
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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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] 3-[bis(2-chloroethyl)amino]benzoate
157757-67-0
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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] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
157757-78-3
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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
157757-68-1
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2-(diethylamino)ethyl 2-[bis(2-chloroethyl)amino]benzoate Formula
76464-79-4
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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 Formula
68426-41-5
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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] 2-[bis(2-chloroethyl)amino]benzoate Formula
157757-69-2
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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] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate Structure
72273-04-2
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