(4-Formyl-2-methoxyphenyl) 2-ethyl-3,5-dihydroxy-4-(3-hydroxy-2-methylbenzoyl)oxybenzoate;pyridine-3-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: (4-Formyl-2-methoxyphenyl) 2-ethyl-3,5-dihydroxy-4-(3-hydroxy-2-methylbenzoyl)oxybenzoate;pyridine-3-carboxamide
• 英文别名: (4-formyl-2-methoxyphenyl) 2-ethyl-3,5-dihydroxy-4-(3-hydroxy-2-methylbenzoyl)oxybenzoate;pyridine-3-carboxamide
• 化学式: C31H28N2O10
• 分子量: 588.6
• InChiKey: UOZZJFNJAUYVRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  196
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• MULTICOMPONENT CRYSTALS COMPRISING DASATINIB AND SELECTED COCRYSTAL FORMERS
  申请人：BASF SE

  公开号：EP2861589A2

  公开（公告）日：2015-04-22
• [EN] MULTICOMPONENT CRYSTALS COMPRISING DASATINIB AND SELECTED COCRYSTAL FORMERS<br/>[FR] CRISTAUX À PLUSIEURS COMPOSANTS COMPRENANT DU DASATINIB ET DES AGENTS DE FORMATION DE COCRISTAUX CHOISIS
  申请人：BASF SE

  公开号：WO2013186726A2

  公开（公告）日：2013-12-19

  The present invention refers to a multicomponent crystalline system (co-crystal) comprising a compound of formula 1 (INN: Dasatinib) and a second compound selected from methyl-4-hydroxybenzoate, or nicotinamide, or ethyl gallate, or methyl gallate, or propyl gallate, or ethyl maltol or vanillin, or men- thol, or (1R,2S,5R)-(-)-menthol,as well as to a process for obtaining the same.