1-tert-Butylamino-3-(2.3-dimethyl-4-hydroxyphenoxy)-2-propanol | 51282-93-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-tert-Butylamino-3-(2.3-dimethyl-4-hydroxyphenoxy)-2-propanol
• 英文别名: 4-[3-(tert-Butylamino)-2-hydroxypropoxy]-2,3-dimethylphenol；4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dimethylphenol
• CAS: 51282-93-0
• 化学式: C₁₅H₂₅NO₃
• 分子量: 267.368
• InChiKey: HBTCABWEZUWDPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Sulfuric acid mono-[4-(3-tert-butylamino-2-hydroxy-propoxy)-2,3-dimethyl-phenyl] ester 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 1-tert-Butylamino-3-(2.3-dimethyl-4-hydroxyphenoxy)-2-propanol
  参考文献：
  名称：

  Isolation and characterization of metabolites derived from 1-tert-butylamino-3-(2,3-dimethylphenoxy)-2-propanol D-32), a new .BETA.-blocker.

  摘要：

  The metabolic fate of D-32, which is a new adrenergic β-blocking agent, has been investigated with rabbit, rat and monkey. Eleven unconjugated metabolites and four conjugated metabolites were separated from urine after oral administration of D-32. The structure of these metabolites were deduced from physico-chemical data and definitely characterized by direct comparison with the authentic samples (see Chart 1). The biochemical significance of the transformation observed and the pharmacological activity of metabolites have been discussed.

  DOI：

  10.1248/cpb.23.1045

文献信息

• Isolation and characterization of metabolites derived from 1-tert-butylamino-3-(2,3-dimethylphenoxy)-2-propanol D-32), a new .BETA.-blocker.
  作者：SEIJIRO HONMA、AKIRA KAMBEKAWA

  DOI：10.1248/cpb.23.1045

  日期：——

  The metabolic fate of D-32, which is a new adrenergic β-blocking agent, has been investigated with rabbit, rat and monkey. Eleven unconjugated metabolites and four conjugated metabolites were separated from urine after oral administration of D-32. The structure of these metabolites were deduced from physico-chemical data and definitely characterized by direct comparison with the authentic samples (see Chart 1). The biochemical significance of the transformation observed and the pharmacological activity of metabolites have been discussed.