Phenazopyridine phthalimide | 1374137-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: Phenazopyridine phthalimide
• 英文别名: isoindole-1,3-dione;3-phenyldiazenylpyridine-2,6-diamine
• CAS: 1374137-75-3
• 化学式: C₈H₅NO₂*C₁₁H₁₁N₅
• 分子量: 360.375
• InChiKey: QVSOYSKWPKTJGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  盐酸非那吡啶 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 Phenazopyridine phthalimide
  参考文献：
  名称：

  Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability

  摘要：

  One phenazopyridine monohydrate (1 center dot H2O), one cocrystal of phenazopyridine with phthalimide (2), and three salts of phenazopyridine with benzoic acid (3), 4-hydroxyphenylacetic acid (4), and scaaharin (5) were synthesized, and their structures were determined by single crystal X-ray diffraction. The results of dissolution experiments indicate that the solubility of phenazopyridine can be enhanced after the formations of cocrystal and salts, in which the apparent solubility value of 5 is approximately 9 times as large as that of phenazopyridine in water, and the apparent solubility value of 4 is approximately 10 times as large as that of phenazopyridine hydrochloride (1 center dot HCl) in 0.1 M HCl aqueous solution. The results of the stability study demonstrate that 2-5 are less hygroscopic than 1 center dot H2O and 1 center dot HCl at both 85% and 98% RH.

  DOI：

  10.1021/cg300327x