(4As,4Br,6As,8S,10As,10Bs,12As)-10A,12A-Dimethyl-2-Oxooctadecahydronaphtho[2,1-F]Quinolin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenoxy}Acetate

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Formula C31H44Cl2N2O4
IUPAC 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-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
Molecular Mass 579.598 g·mol−1
Heat of Formation -918.3 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 691.94 Å 3
Surface Area 556.7 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-17-one, 3-[[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]oxy]-, (3.beta.,5.alpha.)-
  • 17a-aza-d-homoandrostan-17-one, 3-[[[4-[bis(2-chloroethyl)amino]phenoxy]acetyl]oxy]-, (3.beta.,5.alpha.)-
  • 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid [(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[6,5-f]quinolin-8-yl] ester
  • 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid [(4as,4br,6as,8s,10as,10bs,12as)-2-keto-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1h-naphtho[6,5-f]quinolin-8-yl] ester
  • [(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[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
  • [(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[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoate
  • naphtho[2,1-f]quinoline, 17a-aza-d-homoandrostan-17-one deriv.
CAS Number(s)
  • 72273-04-2
InChIKey YMLNFFIBJFJMPJ-SXROWPHRSA-N
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