(4As,4Br,8S,10Ar,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-1,2,3,4,4A,4B,5,7,8,9,10,10A,10B,11,12,12A-Hexadecahydronaphtho[2,1-F]Quinolin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate

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Properties Simple | Detailed

Formula C31H36Cl2N2O3
IUPAC 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[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular Mass 555.535 g·mol−1
Heat of Formation -713.6 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 679.97 Å 3
Surface Area 551.66 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrost-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(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[6,5-f]quinolin-8-yl] ester
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4as,4br,8s,10ar,10bs,12as)-2-keto-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1h-naphtho[6,5-f]quinolin-8-yl] ester
  • 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-aza-d-homoandrost-5-en-17-one
  • 3-beta-hydroxy-13alpha-amino-13,17-seco-5-androsten-17-oic-13,17-lactam p-n,n-bis(2-chloroethyl)aminophenylacetate
  • [(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[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
  • bccho
  • homo-aza-androstene ester of p-bis(2-chloroethyl)aminophenylacetic acid
CAS Number(s)
  • 53039-94-4
InChIKey REYWQKDXELGBMI-DIUBKPNJSA-N
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