雷尼替丁杂质 C | 73851-70-4

• 物质功能分类: 分析化学 - 分析试剂 - 离子色谱试剂
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 雷尼替丁杂质 C
• 中文别名: 雷尼替丁-S-氧化物；雷尼替丁杂质C
• 英文名称: Ranitidine S-oxide
• 英文别名: 1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)sulfinyl)ethyl)-N'-methyl-2-nitro-；1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
• CAS: 73851-70-4
• 化学式: C₁₃H₂₂N₄O₄S
• 分子量: 330.408
• InChiKey: SKHXRNHSZTXSLP-UHFFFAOYSA-N

物化性质

• 熔点：
  64-67°C
• 溶解度：
  可溶于氯仿（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：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S36/37
• 危险类别码：
  R37,R42/43
• WGK Germany：
  3
• 海关编码：
  2932190002

反应信息

• 作为产物：
  描述：

  ranitidine hydrochloride 在 rat hepatocyte 作用下， 以 水 为溶剂， 生成 去甲基雷尼替丁 、 雷尼替丁-N-氧化物 、 雷尼替丁杂质 C
  参考文献：
  名称：

  Kinetics of ranitidine metabolism in dog and rat isolated hepatocytes

  摘要：

  1. Freshly isolated hepatocytes from rat and dog have been evaluated as a model for the metabolism of ranitidine in vivo.2. Isolated hepatocytes from the male and female dog and male Wistar and random hooded rat metabolized ranitidine to ranitidine N-oxide, ranitidine S-oxide, desmethylranitidine and two unidentified minor metabolites. The furoic acid metabolite of ranitidine, previously reported to be a minor metabolite in vivo in rat and dog, was not detected in hepatocytes from either species.3. The kinetics for ranitidine metabolism in hepatocytes were monophasic for the formation of the three major metabolites in dog and Wistar rat and for N-demethylation of ranitidine in the random hooded rat, but biphasic in this latter strain for the N- and S-oxidation of ranitidine.4. Ranitidine N-oxide was reduced to ranitidine by Wistar rat hepatocytes but not by hepatocytes from the random hooded rat or dog. Ranitidine S-oxide was metabolized by hepatocytes from both species to one of the unidentified metabolites but was not reduced to ranitidine in either species. Desmethylranitidine was not a substrate for metabolism in hepatocytes from either species.5. The relative quantitative importance of ranitidine N-oxide, ranitidine S-oxide and desmethylranitidine produced by the hepatocytes was consistent with the profiles of these three metabolites in vivo in rat and dog. The results confirm the value of isolated hepatocytes as a predictive model for in vivo drug metabolism.

  DOI：

  10.3109/00498259509061858