 Home > Encyclopedia > [(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate

[(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate

[(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate structure

CAS No:
53039-94-4
Formula:
C31H42Cl2N2O3
Chemical Name:
[(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Synonyms:
3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-aza-D-homoandrost-5-en-17-one;3-beta-hydroxy-13 alpha-amino-13,17-seco-5-androsten-17-oic-13,17-lactam p-N,N-bis(2-chloroethyl)aminophenylacetate;BCCHO;p-bis(2-chloroethyl)aminophenylacetic acid, homo-aza-androstene ester;53039-94-4;BCCHO;DTXSID20967540;[(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate;Homo-aza-androstene ester of p-bis(2-chloroethyl)aminophenylacetic acid;P-bis(2-chloroethyl)aminophenylacetic acid, homo-aza-androstene ester;3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-aza-D-homoandrost-5-en-17-one;17a-Aza-D-homoandrost-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (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-[bis(2-chloroethyl)amino]phenyl}acetate;3-beta-Hydroxy-13alpha-amino-13,17-seco-5-androsten-17-oic-13,17-lactam p-N,N-bis(2-chloroethyl)aminophenylacetate

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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-[4-[bis(2-chloroethyl)amino]phenyl]acetate Basic Attributes

Molecular Weight：

561.6 g/mol

Exact Mass：

560.2572486 g/mol

Characteristics

PSA：

58.6 Å²

Drug Information

MeSH Entry Terms：

3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-aza-D-homoandrost-5-en-17-one

Computed Properties

Molecular Weight:561.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:560.2572486
Monoisotopic Mass:560.2572486
Topological Polar Surface Area:58.6
Heavy Atom Count:38
Complexity:898
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(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-[4-[bis(2-chloroethyl)amino]phenyl]acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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