Fluconazolium picrate | 1257509-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Fluconazolium picrate
• 英文别名: (2S)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-2-ium-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol;2,4,6-trinitrophenolate
• CAS: 1257509-25-3
• 化学式: C₆H₃N₃O₇*C₁₃H₁₂F₂N₆O
• 分子量: 535.38
• InChiKey: WDGCAUUNKRXDBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  244
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  苦味酸 、 氟康唑 以 aq. buffer 为溶剂， 生成 Fluconazolium picrate
  参考文献：
  名称：

  EXTRACTIVE SPECTROPHOTOMETRIC DETERMINATION OF KETOCONAZOLE, CLOTRIMAZOLE AND FLUCONAZOLE BY ION-PAIR COMPLEX FORMATION WITH BROMOTHYMOL BLUE AND PICRIC ACID

  摘要：

  The reactions of picric acid and bromothymol blue with three important antifungal drugs containing an imidazole ring ketoconazole (KC) and clotrimazole (CT) and fluconazole (FC) have been studied for the development of simple, rapid, sensitive an extractive-spectrophotometric method for determining the concentration of these drugs. This method is based on the formation of yellow ion-pair complexes between the basic nitrogen of the drug and sulphonphthalein acid dyes, namely; bromothymol blue (BTB) in phosphate buffer of pH = 3 and picric acid (PA) in citrate buffer of pH=2.5. The formed complexes were extracted with chloroform and measured at 410 and 415nin for KC, at 410 and 413nm for CT and at 373 and 415nm for FC using PA and BTB, respectively. The analytical parameters and their effects on the reported systems are investigated. Beer's law was obeyed in the range 1-60, 1-58 and 3-60 mu g/mL with PA and 3-55, 2-50 and 5-55 mu g/mL with BTB for CT, KC and FC, respectively. The composition of the ion pairs was found 1:1 by mole ratio and jobo s method in all cases. The proposed methods have been applied successfully for the analysis of the studied drugs in pure forms and pharmaceutical formulations. The results are in good agreement with those obtained by official methods.

  DOI：

  10.4067/s0717-97072012000200010