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

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Properties Simple | Detailed

Formula C32H46Cl2N2O3
IUPAC Name [(4as,4br,6as,8s,10as,10bs,12as)-1,10a,12a-trimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular Mass 577.625 g·mol−1
Heat of Formation -792.9 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 703.52 Å 3
Surface Area 563.82 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-methyl-, (3-beta,5-alpha)-
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4as,4br,6as,8s,10as,10bs,12as)-1,10a,12a-trimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[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-1,10a,12a-trimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[6,5-f]quinolin-8-yl] ester
  • 3-hydroxy-n-methyl-17-aza-d-homoandrostan-17-one-4-n,n-bis(2-chloroethyl)aminophenylacetate
  • [(4as,4br,6as,8s,10as,10bs,12as)-1,10a,12a-trimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
CAS Number(s)
  • 146678-52-6
InChIKey XPEARHKOPATKGH-YGZCPXDISA-N
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