n-TETRADECANOYLOXYMETHYLPYRIDINIUM CHLORIDE | 61413-59-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: n-TETRADECANOYLOXYMETHYLPYRIDINIUM CHLORIDE
• 英文别名: 1-Tetradecanoyloxymethyl-Pyridinium Chloride；pyridin-1-ium-1-ylmethyl tetradecanoate;chloride
• CAS: 61413-59-0
• 化学式: C₂₀H₃₄NO₂*Cl
• 分子量: 355.948
• InChiKey: FGZJRARRNWMSPL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  24
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  n-TETRADECANOYLOXYMETHYLPYRIDINIUM CHLORIDE 以 水 为溶剂， 生成 吡啶 、 chloromethyl tetradecanoate
  参考文献：
  名称：

  Soft drugs. 1. Labile quaternary ammonium salts as soft antimicrobials

  摘要：

  Strategies for the design of safer drugs are discussed. The various classes of "soft drugs" are designed to avoid undesired metabolic disposition (primarily various oxidative routes, occurring via possible toxic intermediates) and to be metabolized by a predictable manner with controlled rates. As a first example for the "soft analogue" type drugs, a new class of antimicrobial, surface-active quaternary salts of the type RCOOCHR1--N+ comes from X- was developed. These "soft" quaternary salts are isosteric analogues of known "hard" quaternary surfactants and are characterized by predictable and controllable cleavage (metabolism) to nontoxic components, while showing good activity against a wide range of bacteria. Due to their soft nature (low toxicity), the new antimicrobials are much safer than the conventional, hard analogues.

  DOI：

  10.1021/jm00179a001

文献信息

• US3989711A
  申请人：——

  公开号：US3989711A

  公开（公告）日：1976-11-02
• US4046899A
  申请人：——

  公开号：US4046899A

  公开（公告）日：1977-09-06
• US4120959A
  申请人：——

  公开号：US4120959A

  公开（公告）日：1978-10-17
• US4140796A
  申请人：——

  公开号：US4140796A

  公开（公告）日：1979-02-20
• US4204065A
  申请人：——

  公开号：US4204065A

  公开（公告）日：1980-05-20