(3β,5Alpha,20R)-20-{[2-(Dimethylamino)Ethyl]Amino}Pregnan-3-Ol

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Formula C25H46N2O
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,17s)-17-[(1r)-1-[2-(dimethylamino)ethylamino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 390.646 g·mol−1
Heat of Formation -468.1 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 544.17 Å 3
Surface Area 423.48 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13s,14s,17s)-17-[(1r)-1-(2-dimethylaminoethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 20alpha-((2-(dimethylamino)ethyl)amino)-5alpha-pregnan-3beta-ol
  • 22,25-diazacholestanol
  • pregnan-3-ol, 20-((2-(dimethylamino)ethyl)amino)-, (3beta,5alpha,20s)-
  • sc 11952
CAS Number(s)
  • 22232-45-7
  • 6592-89-8
InChIKey VGWCGGRZDMDZKD-OKLGQZCBSA-N
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