17A-Cyanomethyl-17B-Hydroxy-Estra-4,9(10)-Dien-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H25NO2
IUPAC Name 2-[(8s,13s,14s,17r)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Molecular Mass 311.418 g·mol−1
Heat of Formation -285.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 390.93 Å 3
Surface Area 321.29 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 17-alpha-cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one
  • 17-alpha-cyanomethyl-17-beta-hydroxyestra-4,9(10)-diene-3-one
  • 17-hydroxy-3-oxo-19-nor-17alpha-pregna-4,9-diene-21-nitrile
  • 17alpha-17-hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile
  • 19-norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17-alpha)-
  • 2-[(8s,13s,14s,17r)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
  • 2-[(8s,13s,14s,17r)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
  • 2-[(8s,13s,14s,17r)-17-hydroxy-3-keto-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
  • d03799
  • dienogest
  • dienogest (jan/usan)
  • dienogestum [latin]
  • dinagest
  • mjr-35
  • sh-t00660aa
  • visanne
CAS Number(s)
  • 65928-58-7
InChIKey AZFLJNIPTRTECV-FUMNGEBKSA-N
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