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

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Properties Simple | Detailed

Formula C30H42Cl2N2O3
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[6,5-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
Molecular Mass 549.572 g·mol−1
Heat of Formation -772.1 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 665.12 Å 3
Surface Area 509.21 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-17-one, 3-((2-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-beta,5-alpha)-
  • 2-[bis(2-chloroethyl)amino]benzoic 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-[bis(2-chloroethyl)amino]benzoic 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
  • 3-((2-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3beta,5alpha)-17a-aza-d-homoandrostan-17-one
CAS Number(s)
  • 157757-66-9
InChIKey ZHLHJJXYMZLGKL-QPNSFPETSA-N
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