阿苯达唑杂质F | 80983-45-5

• 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 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 阿苯达唑杂质F
• 中文别名: 5-(S-甲基)阿苯达唑
• 英文名称: methyl (6-(methylthio)-1H-benzo[d]imidazol-2-yl)carbamate
• 英文别名: Carbamic acid, (5-(methylthio)-1H-benzimidazol-2-yl)-, methyl ester；methyl N-(6-methylsulfanyl-1H-benzimidazol-2-yl)carbamate
• CAS: 80983-45-5
• 化学式: C₁₀H₁₁N₃O₂S
• 分子量: 237.282
• InChiKey: KOELMGUJAFAZST-UHFFFAOYSA-N

物化性质

• 熔点：
  >230°C (dec.)
• 密度：
  1.39±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  阿苯达唑杂质F 在 双氧水 作用下， 以 水 为溶剂， 反应 9.5h， 以97%的产率得到Carbamic acid, (5-(methylsulfonyl)-1H-benzimidazol-2-yl)-, methyl ester
  参考文献：
  名称：

  硫化物的环保氧化

  摘要：

  已开发出一种改进的绿色路线，用于硫化物的氧化。使用H 2 O 2作为氧化剂和H 2 O作为溶剂，将阿苯达唑转化为多苯达唑或阿苯达唑砜。通过在室温下进行反应，可获得高产率的相应产物。这种合成方法对环境清洁，安全，对于其他苯并咪唑驱虫药和各种硫化物的氧化操作简单。 使用H 2 O 2作为氧化剂和H 2 O作为溶剂，阿苯达唑被氧化为多苯达唑和阿苯达唑砜。

  DOI：

  10.1007/s12039-016-1121-1

文献信息

• Composition for controlling microsporidia in fishes and method for controlling microsporidia in fishes using same
  申请人：MARUHA NICHIRO CORPORATION

  公开号：US10813914B2

  公开（公告）日：2020-10-27

  A composition for controlling or preventing microsporidia in a fish or a seafood is prepared by using, as an active ingredient, at least one compound selected from the group consisting of compounds represented by the following chemical formula (I): (wherein, R2, R4, R5, R6 and R7 each independently represent a specific substituent), pharmaceutically acceptable salts thereof, and compounds generating the compounds represented by the chemical formula (I) by metabolism in the body of the fish or the seafood. By using this composition for controlling or preventing microsporidia in a fish to or a seafood, a method for controlling or preventing microsporidia in a fish or a seafood is provided, which prevents microsporidian infection in the muscle or organs of the fish or the seafood, and/or suppresses the growth of microsporidia in the muscle or organs of the fish or the seafood, and/or highly effective in eliminating microsporidia from the body of the fish or the seafood and also excellent in safety.

  一种用于控制或预防鱼类或海产品中的小孢子虫的组合物，其制备方法是使用至少一种从由下 列化学式（I）所代表的化合物组成的组中选出的化合物作为活性成分： (其中，R2、R4、R5、R6 和 R7 各自独立地代表一个特定的取代基）、其药学上可接受的盐，以及在鱼类或海产品体内通过新陈代谢生成化学式（I）所代表化合物的化合物。通过使用这种用于控制或预防鱼类或海产品中的微孢子虫的组合物，提供了一种控制或预防鱼类或海产品中的微孢子虫的方法，该方法可防止鱼类或海产品的肌肉或器官中的微孢子虫感染，和/或抑制鱼类或海产品的肌肉或器官中的微孢子虫的生长，和/或高效地消除鱼类或海产品体内的微孢子虫，并且安全性极佳。
• COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME
  申请人：MARUHA NICHIRO CORPORATION

  公开号：US20190111027A1

  公开（公告）日：2019-04-18

  A composition for controlling or preventing microsporidia in a fish or a seafood is prepared by using, as an active ingredient, at least one compound selected from the group consisting of compounds represented by the following chemical formula (I): (wherein, R 2 , R 4 , R 5 , R 6 and R 7 each independently represent a specific substituent), pharmaceutically acceptable salts thereof, and compounds generating the compounds represented by the chemical formula (I) by metabolism in the body of the fish or the seafood. By using this composition for controlling or preventing microsporidia in a fish to or a seafood, a method for controlling or preventing microsporidia in a fish or a seafood is provided, which prevents microsporidian infection in the muscle or organs of the fish or the seafood, and/or suppresses the growth of microsporidia in the muscle or organs of the fish or the seafood, and/or highly effective in eliminating microsporidia from the body of the fish or the seafood and also excellent in safety.