Unii-B3lwk12L14 | 832720-51-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Unii-B3lwk12L14
• 英文别名: 4-[[(1R)-2-[5-(2-fluoro-3-hydroxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
• CAS: 832720-51-1
• 化学式: C₃₁H₂₈F₅N₃O₅
• 分子量: 617.572
• InChiKey: DZVOEOFOGMCCEU-DEOSSOPVSA-N

物化性质

• 沸点：
  731.2±70.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• DEUTERATED ELAGOLIX-LIKE COMPOSITIONS AND METHODS
  申请人：Lupin Inc.

  公开号：US20200268756A1

  公开（公告）日：2020-08-27

  New deuterated analogs of elagolix are provided. The novel deuterated elagolix analogs differ from the only previously disclosed deuterated elagolix analogs in structure based on the exclusion of deuterium at certain sites in the compounds and the inclusion of deuterium at other sites. Also provided are new formulations for deuterated elagolix compounds and methods of using such compounds and formulations in the modification of mammalian physiology and especially in the treatment and prevention of a number of diseases and disorders, including endometriosis-associated pain and uterine fibroid conditions.