1-[2-(4-(3-trifluoromethyl-phenyl)piperazin-1-yl)ethyl]-2,3-dihydro-1H-benzimidazol-2-one malonate | 1231148-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[2-(4-(3-trifluoromethyl-phenyl)piperazin-1-yl)ethyl]-2,3-dihydro-1H-benzimidazol-2-one malonate
• 英文别名: propanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
• CAS: 1231148-53-0
• 化学式: C₃H₄O₄*C₂₀H₂₁F₃N₄O
• 分子量: 494.471
• InChiKey: PYMRJYOEEYCWKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• CRYSTALLINE SALT FORMS OF FLIBANSERINE
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2376457A2

  公开（公告）日：2011-10-19
• NEW SALTS
  申请人：Mazurek Jaroslaw

  公开号：US20120122883A1

  公开（公告）日：2012-05-17

  The present invention relates to new crystalline salt forms of flibanserine which have valuable pharmacological properties, to a process for their manufacture, to pharmaceutical formulations containing them and to their use as medicament.
• Salts
  申请人：Mazurek Jaroslaw

  公开号：US20150126524A1

  公开（公告）日：2015-05-07

  The present invention relates to new crystalline salt forms of flibanserine which have valuable pharmacological properties, to a process for their manufacture, to pharmaceutical formulations containing them and to their use as medicament.
• US9546141B2
  申请人：——

  公开号：US9546141B2

  公开（公告）日：2017-01-17
• [EN] NEW SALTS<br/>[FR] NOUVEAUX SELS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010079045A2

  公开（公告）日：2010-07-15

  The present invention relates to new crystalline salt forms of flibanserine which have valuable pharmacological properties, to a process for their manufacture, to pharmaceutical formulations containing them and to their use as medicament.