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

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Properties Simple | Detailed

Formula C31H44Cl2N2O3
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]phenyl]acetate
Molecular Mass 563.599 g·mol−1
Heat of Formation -799.7 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 684.88 Å 3
Surface Area 551.7 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3-beta,5-alpha)-
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]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]phenyl]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]phenyl]ethanoate
  • acetic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 17-oxo-d-homo-17a-azaandrostan-3-yl ester
  • chlorambucil ester of 3-beta-hydroxy-13a-amino-13,17-seco-5a-androstan-17-oic-13,17-lactam
  • dal-8
  • homo-aza-steroidal ester of p-bis(2-chloroethyl)aminophenyl-acetic acid
  • homo-azasteroidal ester of p-bis(2-chloroethyl)aminophenylacetic acid
  • n-s 90205
CAS Number(s)
  • 43000-65-3
InChIKey JMZJBCNHUJOLER-AYQCGTONSA-N
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