Norgestimate

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Formula C23H31NO3
IUPAC Name [(3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 369.497 g·mol−1
Heat of Formation -278.2 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 425.11 Å 3
Surface Area 332.71 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-13-ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one oxime acetate (ester)
  • (17-alpha)-17-(acetyloxy)-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one 3-oxime
  • 18,19-dinor-17-pregn-4-en-20-yn-3-one, 17-(acetyloxy)-13-ethyl-, oxime, (17alpha)- (+)-
  • 18,19-dinorpregn-4-en-20-yn-3-one, 17-(acetyloxy)-13-ethyl-, 3-oxime, (17-alpha)-
  • [(3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroximino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • d 138
  • d-13-beta-ethyl-17-alpha-ethynyl-17-beta-acetoxygon-4-en-3-one oxime
  • d-138
  • d05209
  • dexnorgestrel acetime
  • norgestimate (usp)
  • orf 10131
  • orf-10131
  • rwj 10131
CAS Number(s)
  • 35189-28-7
InChIKey KIQQMECNKUGGKA-NMYWJIRASA-N
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