21-Chloro-6-Dehydrodanazol
[CAS# 121565-24-0]

Identification

• Name: 21-Chloro-6-Dehydrodanazol
• Synonyms: Pregna-2,4,6-Trien-20-Yno(2,3-D)Isoxazol-17-Ol, 21-Chloro-, (17Alpha)-
• Molecular Formula: C₂₂H₂₄ClNO₂
• Molecular Weight: 369.89
• CAS Registry Number: 121565-24-0
• SMILES: [C@H]25[C@H]1[C@@]([C@@](O)(CC1)C#CCl)(CC[C@@H]2[C@@]4(C(=CC3ON=CC3=C4)C=C5)C)C
• InChI: 1S/C22H24ClNO2/c1-20-12-14-13-24-26-19(14)11-15(20)3-4-16-17(20)5-7-21(2)18(16)6-8-22(21,25)9-10-23/h3-4,11-13,16-19,25H,5-8H2,1-2H3/t16-,17+,18+,19?,20+,21+,22-/m1/s1
• InChIKey: AEPGMFBWGRGIPT-ZQVQXZBISA-N