2-Hydroxy-5-sulfobenzoic acid-methane(1:2) | 6133-49-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Hydroxy-5-sulfobenzoic acid-methane(1:2)
• 英文别名: 2-hydroxy-5-sulfobenzoic acid;methane
• CAS: 6133-49-9
• 化学式: C9H14O6S
• 分子量: 250.27
• InChiKey: NFYHZVWMQHQKRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  120
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• NOVEL COCRYSTALLIZATION
  申请人：CHILDS Scott L.

  公开号：US20090281195A1

  公开（公告）日：2009-11-12

  The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.

  本公开涉及新型共晶体和新型共晶化方法。具体而言，公开包括由活性剂的盐组成的共晶体，例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法和筛选固态相的方法。
• Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound
  申请人：Aptuit (West Lafayette), LLC

  公开号：EP2292585B1

  公开（公告）日：2016-04-27
• Cocrystallization methods
  申请人：Childs Scott

  公开号：US20070088508A1

  公开（公告）日：2007-04-19

  Methods for preparing cocrystals wherein solutions of active agents in suitable liquids are combined with solutions of guests, both with and without suitable liquids, in an interface region are described herein. Methods for analyzing the cocrystals are also described.
• Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound
  申请人：Childs L. Scott

  公开号：US20070287194A1

  公开（公告）日：2007-12-13

  The present disclosure relates to crystallizing a chemical substance(s) using ultrasound. Methods are provided for screening a chemical substance according to its solid forms by using ultrasound to generate new or unusual solid forms. Methods are also provided for crystallizing a chemical substance by novel techniques that include sonication. The present disclosure also relates to cocrystallization using ultrasound. Methods are provided for preparing cocrystals of an active agent and a guest by sonicating and crystallizing. Methods are also provided for screening a sample according to solid state phases (such as cocrystals and salts) and include generating a cocrystal from the sample using ultrasound.
• SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND
  申请人：Childs Scott L.

  公开号：US20110251426A1

  公开（公告）日：2011-10-13

  The present disclosure relates to crystallizing a chemical substance(s) using ultrasound. Methods are provided for screening a chemical substance according to its solid forms by using ultrasound to generate new or unusual solid forms. Methods are also provided for crystallizing a chemical substance by novel techniques that include sonication. The present disclosure also relates to cocrystallization using ultrasound. Methods are provided for preparing cocrystals of an active agent and a guest by sonicating and crystallizing. Methods are also provided for screening a sample according to solid state phases (such as cocrystals and salts) and include generating a cocrystal from the sample using ultrasound.