2-(2,4-二氟苯基)-1-(1H-1,2,4-噻唑-1-基)-3-(4H-1,2,4-三唑-4-基)-2-丙醇 | 89429-59-4

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,4-二氟苯基)-1-(1H-1,2,4-噻唑-1-基)-3-(4H-1,2,4-三唑-4-基)-2-丙醇
• 中文别名: 氟康唑EP杂质A；氟康唑杂质A
• 英文名称: Iso Fluconazole
• 英文别名: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
• CAS: 89429-59-4
• 化学式: C₁₃H₁₂F₂N₆O
• 分子量: 306.27
• InChiKey: SAXXZPKHUDPGQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  >95°C (dec.)
• 密度：
  1.49
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2933990090
• WGK Germany：
  3

文献信息

• Triazole antifungal agents
  申请人：Pfizer Limited

  公开号：EP0096569A2

  公开（公告）日：1983-12-21

  A triazole antifungal agent of the formula:- or a pharmaceutically or agriculturally acceptable salt thereof, wherein R is naphthyl, biphenylyl, or phenyl optionally substituted by 1 to 3 substituents each independently selected from F, Cl, Br, I, CF3, C1-C4 alkyl and C,-C4 alkoxy; or R is a 5-chloropyrid-2-yl group; and X is F, Cl or Br; processes for their production; and pharmaceutical and plant or seed antifungal compositions containing them. The compounds are useful as antifungal agents for human and agricultural use.

  式中的三唑类抗真菌剂 或其药学上或农业上可接受的盐，其中 R 是萘基、联苯基或苯基，任选被 1 至 3 个各自独立选自 F、Cl、Br、I、CF3、C1-C4 烷基和 C,-C4 烷氧基的取代基取代；或 R 是 5-氯吡啶-2-基团； X为F、Cl或Br；生产工艺；以及含有这些化合物的药物和植物或种子抗真菌组合物。 这些化合物可用作人类和农业用途的抗真菌剂。
• Antifungal agents, processes for their preparation, and pharmaceutical compositions containing them
  申请人：Pfizer Limited

  公开号：EP0069442B1

  公开（公告）日：1985-02-20
• COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION
  申请人：The Procter & Gamble Company

  公开号：US20140227208A1

  公开（公告）日：2014-08-14

  Compositions for alleviating mechanically-induced skin inflammation, such as that caused by shaving, contain substituted azole. Methods for alleviating mechanically-induced skin inflammation include the step of applying a composition comprising substituted azole to a skin surface subject to mechanically-induced inflammation. In particular embodiments the substituted azole compound is 1-phenylimidazole, 4-phenylimidazole, or a combination thereof. An effective amount of the composition is applied for a period of time sufficient to alleviate mechanically-induced skin inflammation.