(5α,17Beta)-3-Oxoandrostan-17-Yl Bis(2-Chloroethyl)Carbamate

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Properties Simple | Detailed

Formula C24H37Cl2NO3
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] n,n-bis(2-chloroethyl)carbamate
Molecular Mass 458.461 g·mol−1
Heat of Formation -864.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 556.19 Å 3
Surface Area 432.67 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha-dihydrotestosterone-17beta-n-bis(2-chloroethyl)carbamate
  • [(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] n,n-bis(2-chloroethyl)carbamate
  • androstan-3-one, 17-(((bis(2-chloroethyl)amino)carbonyl)oxy)-, (5alpha,17beta)-
  • dht-nm
  • dihydrotestosterone-17-n-bis(2-chloroethyl)carbamate
  • n,n-bis(2-chloroethyl)carbamic 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
  • n,n-bis(2-chloroethyl)carbamic 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
CAS Number(s)
  • 53033-00-4
InChIKey GLOOSBNJICQRDG-KXBDTHCRSA-N
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