N'-[(3E,17α)-17-Hydroxy-19-Norpregn-4-En-20-Yn-3-Ylidene]Isonicotinohydrazide

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Properties Simple | Detailed

Formula C26H31N3O2
IUPAC Name n-[(e)-[(8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide
Molecular Mass 417.543 g·mol−1
Heat of Formation 78.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 521.89 Å 3
Surface Area 432.96 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pyridinecarboxylic acid, ((17alpha)-17-hydroxy-19-norpregn-4-en-20-yn-3-ylidene)hydrazide
  • n-[[(8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]isonicotinamide
  • neinh
CAS Number(s)
  • 86762-75-6
InChIKey BPABSCIRMRCINT-FORBUGQESA-N
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