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

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Formula C33H48Cl2N2O3
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] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Molecular Mass 591.652 g·mol−1
Heat of Formation -848.8 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 731.06 Å 3
Surface Area 593.35 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-17-one, 3-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (3beta,5alpha)-
  • 3-hydroxy-13,17-secoandrostan-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic 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
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric 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
  • hsal-chlorambucil
CAS Number(s)
  • 68426-41-5
InChIKey RZUXNVWHBNYWOU-YFZVQILUSA-N
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