16-Bromo-3,17-dihydroxypregn-5-en-20-one | 14072-39-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 16-Bromo-3,17-dihydroxypregn-5-en-20-one
• 英文别名: 1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone
• CAS: 14072-39-0
• 化学式: C₂₁H₃₁BrO₃
• 分子量: 411.4
• InChiKey: QHGYFCMIYWBDBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Further syntheses of cyproterone acetate
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1359154A1

  公开（公告）日：2003-11-05

  The present invention relates to improved methods for synthesising cyproterone acetate (17α-Acetoxy-6-chloro-1α, 2α-methylene-4,6-pregnadiene-3,20-dione) from solasodine. The methods of the invention are shorter as those of the prior art and therefore more economic.

  本发明涉及从索拉索丁合成环丙孕酮醋酸酯（17α-乙酰氧基-6-氯-1α，2α-亚甲基-4,6-孕二烯-3,20-二酮）的改进方法。本发明的方法比先前技术更短，因此更经济。
• Synthesis of cyproterone acetate
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20040024230A1

  公开（公告）日：2004-02-05

  The present invention relates to improved methods for synthesising cyproterone acetate (17&agr;-Acetoxy-6-chloro-1&agr;, 2&agr;-methylene-4,6-pregnadiene-3,20-dione) from solasodine.

  本发明涉及从茄子碱合成丙炔羟孕酮醋酸酯（17&agr;-乙酰氧基-6-氯-1&agr;，2&agr;-亚甲基-4,6-孕二烯-3,20-二酮）的改进方法。
• FURTHER SYNTHESES OF CYPROTERONE ACETATE
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1501858A2

  公开（公告）日：2005-02-02
• [EN] IMPROVED SYNTHESIS OF CYPROTERONE ACETATE<br/>[FR] SYNTHESE AMELIOREE D'ACETATE DE CYPROTERONE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2003092578A2

  公开（公告）日：2003-11-13

  The present invention relates to improved methods for synthesising cyproterone acetate (17α-Acetoxy-6-chloro-1α, 2α-methylene-4,6-pregnadiene-3,20-dione) from solasodine. The methods of the invention are shorter as those of the prior art and therefore more economic.