donepezil salicylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: donepezil salicylate
• 英文别名: donepesil salicylate；2-[(1-Benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2-hydroxybenzoic acid
• 化学式: C₇H₆O₃*C₂₄H₂₉NO₃
• 分子量: 517.622
• InChiKey: OTEITNXASXTCSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  多萘哌齐碱 、 水杨酸 以 乙醇 、 乙酸乙酯 为溶剂， 生成 donepezil salicylate
  参考文献：
  名称：

  POLYMORPHS OF DONEPEZIL SALTS, PREPARATION METHODS AND USES THEREOF

  摘要：

  1-苄基-4-[(5,6-二甲氧基-1-茚酮)-2-基]甲基哌啶（即多奈哌齐）的甲磺酸盐、对甲苯磺酸盐、琥珀酸盐、酒石酸盐、硫酸盐、硝酸盐、磷酸盐、水杨酸盐、富马酸盐、马来酸盐、没食子酸盐、乙酰水杨酸盐、苯磺酸盐、柠檬酸盐、天冬氨酸盐、谷氨酸盐、乳酸盐、葡萄糖酸盐、抗坏血酸盐、丙二酸盐、苹果酸盐、山梨酸盐、乙酸盐或甲酸盐的制备方法。从这些盐中形成的新型多晶形态及其制备方法。由多奈哌齐盐酸盐和马来酸、富马酸、柠檬酸、水杨酸、酒石酸或琥珀酸形成的共晶体。

  公开号：

  US20100311793A1

文献信息

• Spectroscopic studies of solid-state forms of donepezil free base and salt forms with various salicylic acids
  作者：Harry G. Brittain

  DOI：10.1016/j.molstruc.2014.01.044

  日期：2014.12

  The polymorphic forms of donepezil free base have been studied using X-ray powder diffraction, Fourier transform infrared absorption spectroscopy, and differential scanning calorimetry. None of the free base crystal forms was observed to exhibit detectable fluorescence in the solid state under ambient conditions. Crystalline salt products were obtained by the reaction of donepezil with salicylic and methyl-substituted salicylic acids, with the salicylate and 4-methylsalicylate salts being obtained as non-solvated products, and the 3-methylsalicylate and 5-methylsalicylate salts being obtained as methanol solvated products. The intensity of solid-state fluorescence from donepezil salicylate and donepezil 4-methylsalicylate was found to be reduced relative to the fluorescence intensity of the corresponding free acids, while the solid-state fluorescence intensity of donepezil 3-methylsalicylate methanolate and donepezil 5-methylsalicylate methanolate was greatly increased relative to the fluorescence intensity of the corresponding free acids. Desolvation of the solvated salt products led to formation of glassy solids that exhibited strong green fluorescence. (C) 2014 Elsevier B.V. All rights reserved.
• US8501779B2
  申请人：——

  公开号：US8501779B2

  公开（公告）日：2013-08-06