[(3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}prop-2-yn-1-yl)oxy]acetic acid | 1262017-23-1

• 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: [(3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}prop-2-yn-1-yl)oxy]acetic acid
• 英文别名: 2-[3-[4-[(5'R,8'S,11'R,13'S,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11'-yl]phenyl]prop-2-ynoxy]acetic acid
• CAS: 1262017-23-1
• 化学式: C₃₆H₄₃F₅O₇
• 分子量: 682.725
• InChiKey: YJCGGKXSCVKHAH-XDESGGSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• 17-HYDROXY-17-PENTAFLUOROETHYL-ESTRA-4,9(10)-DIENE-11-ETHYNYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES
  申请人：Klar Ulrich

  公开号：US20120190660A1

  公开（公告）日：2012-07-26

  The invention relates to 17-hydroxy-17-pentafluoroethylestra-4,9(10)-diene 11-ethynylphenyl derivatives of the formula I, in which R 1 and X are each as defined in the claims and the description, and to a process for preparation thereof and to the use thereof as medicaments.

  该发明涉及式I中的17-羟基-17-五氟乙基雌二烯-4,9(10)-二烯-11-乙炔基苯基衍生物，其中R1和X如索赔和描述中所定义，以及其制备方法和用作药物的用途。
• US9102701B2
  申请人：——

  公开号：US9102701B2

  公开（公告）日：2015-08-11