N'-[(3E,17beta)-17-Ethynyl-17-hydroxyestr-4-en-3-ylidene]isonicotinohydrazide
[CAS# 86762-75-6]

Identification

• Name: N'-[(3E,17beta)-17-Ethynyl-17-hydroxyestr-4-en-3-ylidene]isonicotinohydrazide
• Synonyms: 4-Pyridinecarboxylic acid, ((17α)-17-hydroxy-19-norpregn-4-en-20-yn-3-ylidene)hydrazide; NEINH
• Molecular Formula: C₂₆H₃₁N₃O₂
• Molecular Weight: 417.54
• CAS Registry Number: 86762-75-6
• SMILES: O=C(N\N=C3\C=C2\CC[C@H]1[C@@H]4CC[C@](C#C)(O)[C@@]4(C)CC[C@@H]1[C@H]2CC3)c5ccncc5
• InChI: 1S/C26H31N3O2/c1-3-26(31)13-9-23-22-6-4-18-16-19(28-29-24(30)17-10-14-27-15-11-17)5-7-20(18)21(22)8-12-25(23,26)2/h1,10-11,14-16,20-23,31H,4-9,12-13H2,2H3,(H,29,30)/b28-19+/t20-,21+,22+,23-,25-,26-/m0/s1
• InChIKey: BPABSCIRMRCINT-FORBUGQESA-N

Properties

• Density: 1.281g/cm³ (Cal.)