(5α,17Beta)-3-Oxoandrostan-17-Yl {4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H43Cl2NO3
IUPAC Name [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular Mass 548.584 g·mol−1
Heat of Formation -757.5 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 672.28 Å 3
Surface Area 536.88 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • (5-alpha,17-beta)-17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one
  • (5alpha,17beta)-17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androstan-3-one
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(5s,8r,9s,10s,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
  • [(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
  • androstan-3-one, 17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (5-alpha,17-beta)-
  • androstan-3-one, 17-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (5alpha,17beta)-
  • testiphenon
  • testiphenone
CAS Number(s)
  • 104730-58-7
InChIKey JWLXQUMDRGJLMS-SJQIPMMSSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl