2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;octadecanoic acid | 1001438-56-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;octadecanoic acid
• CAS: 1001438-56-7
• 化学式: C₁₄H₂₂N₂O*C₁₈H₃₆O₂
• 分子量: 518.824
• InChiKey: UFASFGYDJLJZAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.92
• 重原子数：
  37
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  利多卡因 、 硬脂酸 反应 0.08h， 以100%的产率得到2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;octadecanoic acid
  参考文献：
  名称：

  Liquid forms of pharmaceutical co-crystals: exploring the boundaries of salt formation

  摘要：

  我们提出的证据表明，氢键形成（而非盐形成）是中性酸碱复合物形式的固体药物液化的驱动力，局部麻醉剂利多卡因与脂肪酸的混合物形成的液体就是一例；这些复合物存在于简单共晶与部分离子化离子液体之间的边界。

  DOI：

  10.1039/c0cc04485g

文献信息

• SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS
  申请人：Danmarks Tekniske Universitet

  公开号：EP2544664A1

  公开（公告）日：2013-01-16
• [EN] SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSÉS SUPPORTÉS BIOLOGIQUEMENT ACTIFS
  申请人：UNIV DANMARKS TEKNISKE

  公开号：WO2011110662A1

  公开（公告）日：2011-09-15

  The present invention relates to biologically active compounds, particularly liquid compounds, which are immobilized on a solid carrier material, particularly on mesoporous silica. The compounds are non-covalently supported on the solid carrier material thereby forming stable, easily handled solids which have the further advantage that the adsorbed biologically active compounds have improved thermal stability compared with the non-adsorbed compounds, and that they are released rapidly and completely from the carrier material when placed in an aqueous environment.
• Liquid forms of pharmaceutical co-crystals: exploring the boundaries of salt formation
  作者：Katharina Bica、Julia Shamshina、Whitney L. Hough、Douglas R. MacFarlane、Robin D. Rogers

  DOI：10.1039/c0cc04485g

  日期：——

  We present evidence of hydrogen bond formation, not salt formation, as the driving force in the liquefaction of a solid pharmaceutical in the form of a neutral acid–base complex, as exemplified by the liquid formed from a mixture of the local anesthetic lidocaine with fatty acids; these complexes exist at the boundary between simple eutectics and partially ionised ionic liquids.

  我们提出的证据表明，氢键形成（而非盐形成）是中性酸碱复合物形式的固体药物液化的驱动力，局部麻醉剂利多卡因与脂肪酸的混合物形成的液体就是一例；这些复合物存在于简单共晶与部分离子化离子液体之间的边界。