1-[2-[[2-[(4-methylphenyl)amino]phenyl]amino]-2-oxoethyl]-pyridinium chloride | 129178-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[2-[[2-[(4-methylphenyl)amino]phenyl]amino]-2-oxoethyl]-pyridinium chloride
• 英文别名: N-[2-(4-Methylanilino)phenyl]-2-(pyridin-1-ium-1-yl)ethanimidate--hydrogen chloride (1/1)；N-[2-(4-methylanilino)phenyl]-2-pyridin-1-ium-1-ylethanimidate;hydrochloride
• CAS: 129178-31-0
• 化学式: C₂₀H₂₀N₃O*Cl
• 分子量: 353.851
• InChiKey: PIYALCIWCVUZPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.67
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  45
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Quaternary ammonium salts
  申请人：HAMARI YAKUHIN KOGYO KABUSHIKI KAISHA also known as HAMARI CHEMICALS, LTD.

  公开号：EP0356152A1

  公开（公告）日：1990-02-28

  Novel quaternary ammonium compounds of the formula, [wherein R₁ and R₂, each independently represents a hydrogen atom, a C₁ to C₈ alkyl or alkenyl group, C₃ to C₈ cycloalkyl or cycloalkenyl, aralkyl or aryl group; or R₁ and R₂ join with each other in combination with the adjacent N and carbon atoms or further with at least one of nitrogen, oxygen and sulfur atoms to represent a 3- to 8-membered heterocyclic ring group: R₃, R₄ and R₅, each independently represents a C₁ to C₈ alkyl or alkenyl group, C₃ to C₈ cycloalkyl or cycloalkenyl, aralkyl or aryl group; or either two of R₃, R₄ and R₅ combine with each other in combination with the adjacent N and carbon atoms or further with at least one of nitrogen, oxygen and sulfur atoms to represent a 3- or 8-membered heterocyclic ring group, with the remaining being the same as defined above; or R₃, R₄ and R₅ combine with one another in combination with the adjacent N to represent a nitrogen-containing bicyclo ring or nitrogen-containing aromatic ring group: n is an integer of 1 to 8; and X⁻ represents an anion] and their pharmaceutically acceptable salts are useful in the treatment of ulcers in mammals.

  式中的新型季铵盐化合物、 [其中 R₁ 和 R₂ 各自独立地代表氢原子、C₁ 至 C₈ 烷基或烯基、C₃ 至 C₈ 环烷基或环烯基、芳基或芳基；或 R₁ 和 R₂ 与相邻的 N 原子和碳原子结合，或进一步与氮、氧和硫原子中的至少一个结合，代表 3 至 8 元杂环基团：R₃、R₄ 和 R₅，各自独立地代表 C₁ 至 C₈ 烷基或烯基、C₃ 至 C₈ 环烷基或环烯基、芳基或芳基；或 R₃、R₄ 和 R₅ 中的任两个相互结合，与相邻的 N 原子和碳原子结合，或进一步与氮、氧和硫原子中的至少一个结合，代表 3 元或 8 元杂环基团，其余与上述定义相同；或 R₃、R₄ 和 R₅ 与相邻的 N 相互结合代表含氮双环或含氮芳环基团：n 是 1 至 8 的整数；X- 代表阴离子]及其药学上可接受的盐类可用于治疗哺乳动物的溃疡。
• US5055469A
  申请人：——

  公开号：US5055469A

  公开（公告）日：1991-10-08