potassium;(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: potassium;(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
• 化学式: C15H13ClF3KO3
• 分子量: 372.81
• InChiKey: YGEVWQJDLUDDSI-YDALLXLXSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• SALTS AND CRYSTAL FORMS
  申请人：AskAt Inc.

  公开号：EP2938607A1

  公开（公告）日：2015-11-04
• SALTS AND CRYSTAL FORMS OF A COX-2 INHIBITOR
  申请人：AskAt Inc.

  公开号：EP2938607B1

  公开（公告）日：2018-09-12
• US9447066B2
  申请人：——

  公开号：US9447066B2

  公开（公告）日：2016-09-20
• [EN] SALTS AND CRYSTAL FORMS<br/>[FR] SELS ET FORMES CRISTALLINES
  申请人：ASKAT INC

  公开号：WO2014104414A1

  公开（公告）日：2014-07-03

  This invention relates to salts and crystal forms of (S)-6-chloro-7-(1,1-dimethylethyl)-2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid, Compound A, which is cyclooxygenase-2 inhibiter. The present invention provides a salt of compound A, a crystal form thereof, a process for preparing the said salt and a pharmaceutical composition thereof and its use. The salts and/or co-crystals of Compound A of the present invention show good formulation properties such as high aqueous solubility, good intrinsic dissolution, good crystallinity, good thermal stability or low hygroscopicity.