Simufilam (hydrochloride) | 2480226-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: Simufilam (hydrochloride)
• 英文别名: 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;hydrochloride
• CAS: 2480226-07-9
• 化学式: C15H22ClN3O
• 分子量: 295.81
• InChiKey: PTJPWAGPMQSZSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Solid polymorphs of a FLNA-binding compound and its hydrochloride salts
  申请人：Pain Therapeutics, Inc.

  公开号：US11370791B2

  公开（公告）日：2022-06-28

  The preparation and properties of crystalline polymorphs and solvates of 1-benzyl-8-methyl-1,4,8-triazaspiro-[4.5]-decan-2-one free base and of the mono- and dihydrochloride salts and solvates thereof are disclosed, as is an amorphous polymorph of the dihydrochloride. A pharmaceutical composition containing one or more polymorphs and a method of using that composition are also disclosed.

  本研究公开了 1-苄基-8-甲基-1,4,8-三氮杂螺-[4.5]-癸烷-2-酮游离碱及其单盐酸盐和二盐酸盐及溶液的结晶多晶体和溶液的制备方法和性质，以及二盐酸盐的无定形多晶体。还公开了含有一种或多种多晶型的药物组合物以及使用该组合物的方法。
• SOLID POLYMORPHS OF A FLNA-BINDING COMPOUND AND ITS HYDROCHLORIDE SALTS
  申请人：Pain Therapeutics, Inc.

  公开号：US20200270250A1

  公开（公告）日：2020-08-27

  The preparation and properties of crystalline polymorphs and solvates of 1-benzyl-8-methyl-1,4,8-triazaspiro-[4.5]-decan-2-one free base and of the mono- and dihydrochloride salts and solvates thereof are disclosed, as is an amorphous polymorph of the dihydrochloride. A pharmaceutical composition containing one or more polymorphs and a method of using that composition are also disclosed.