(4As,4Br,10Bs,12As)-12A-Methyl-2-Oxo-1,2,3,4,4A,4B,5,6,10B,11,12,12A-Dodecahydronaphtho[2,1-F]Quinolin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate

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Properties Simple | Detailed

Formula C30H36Cl2N2O3
IUPAC Name [(4as,4br,10bs,12as)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular Mass 543.524 g·mol−1
Heat of Formation -586.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 640.66 Å 3
Surface Area 535.12 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 17-aza-homo-delta (1,3,5(10)) estratrien-3-ol-17-one-4-n,n-bis(2-chloroethyl)aminophenylacetate
  • 17a-aza-d-homoestra-1,3,5(10)-trien-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-
  • 17alpha-aza-homo-delta (1,3,5(10)) estratrien-3-ol-17-one-4-n,n-bis(2-chloroethyl)aminophenylacetate
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4as,4br,10bs,12as)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[6,5-f]quinolin-8-yl] ester
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4as,4br,10bs,12as)-2-keto-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[6,5-f]quinolin-8-yl] ester
  • [(4as,4br,10bs,12as)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
  • azebcap
CAS Number(s)
  • 87777-66-0
InChIKey HXQKYNPXQAHMAI-KWWFCQITSA-N
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