3B-Amino-20A-Dimethylamino-5A-Pregnane

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Formula C23H42N2
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,17s)-17-[(1s)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-amine
Molecular Mass 346.593 g·mol−1
Heat of Formation -249.4 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 478.65 Å 3
Surface Area 372.39 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13s,14s,17s)-17-[(1s)-1-dimethylaminoethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-amine
  • [(1s)-1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-dimethyl-amine
  • chonemorphine
  • pregnane-3,20-diamine, n20,n20-dimethyl-, (3beta,5alpha,20s)-
CAS Number(s)
  • 1390-91-6
  • 4282-07-9
  • 474-50-0
InChIKey MJGLREGOLPEPID-GHKGYAFRSA-N
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