cetyltrimethylammonium naproxenate | 102580-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: cetyltrimethylammonium naproxenate
• 英文别名: naprocet；CTA naproxenate；Cetyltrimethylammonium naproxenate；hexadecyl(trimethyl)azanium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• CAS: 102580-74-5
• 化学式: C₁₄H₁₃O₃*C₁₉H₄₂N
• 分子量: 513.805
• InChiKey: RNQBLUNNAYFBIW-NPULLEENSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.88
• 重原子数：
  37
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  十六烷基三甲基硫酸氢铵 以 甲醇 为溶剂， 生成 cetyltrimethylammonium naproxenate
  参考文献：
  名称：

  Simple Process for the Preparation of Cetyltrimethylammonium Naproxenate (Naprocet)

  摘要：

  Specifications for cetyltrimethylammonium (CTA) naproxenate (naprocet), the active ingredient of pharmaceutical liquid preparations used as antiseptic-antinflammatory detergents, fix severe limits to the presence of residual inorganic counteranion deriving from the starting CTA salt. A new simple procedure, which avoids ionic exchange chromatography and utilizes CTAHSO(4) in place of CTABr and CTACl, exploits the quantitative precipitation of K2SO4 from methanol to yield naprocet in line with such specification requirements.

  DOI：

  10.1021/op500175v

文献信息

• Simple Process for the Preparation of Cetyltrimethylammonium Naproxenate (Naprocet)
  作者：Cristiano Bolchi、Ermanno Valoti、Laura Fumagalli、Paola Ruggeri、Valentina Straniero、Marco Pallavicini

  DOI：10.1021/op500175v

  日期：2014.8.15

  Specifications for cetyltrimethylammonium (CTA) naproxenate (naprocet), the active ingredient of pharmaceutical liquid preparations used as antiseptic-antinflammatory detergents, fix severe limits to the presence of residual inorganic counteranion deriving from the starting CTA salt. A new simple procedure, which avoids ionic exchange chromatography and utilizes CTAHSO(4) in place of CTABr and CTACl, exploits the quantitative precipitation of K2SO4 from methanol to yield naprocet in line with such specification requirements.