4-(aminomethyl)-3-hydroxy-5-(hydroxymethyl)-1,2-dimethylpyridin-1-ium iodide hydrochloride | 1131545-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(aminomethyl)-3-hydroxy-5-(hydroxymethyl)-1,2-dimethylpyridin-1-ium iodide hydrochloride
• CAS: 1131545-02-2
• 化学式: C₉H₁₅N₂O₂*ClH*I
• 分子量: 346.596
• InChiKey: AALNRRUXQVDEMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.36
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  碘甲烷 、 pyridoxamine dihydrochloride 以 甲醇 、 苯 为溶剂， 反应 76.5h， 生成 4-(aminomethyl)-3-hydroxy-5-(hydroxymethyl)-1,2-dimethylpyridin-1-ium iodide hydrochloride
  参考文献：
  名称：

  N-Methylpyridoxamine: Novel canine vitamin B6 urine metabolite

  摘要：

  Cation-exchange HPLC analysis of urine from dogs given large daily doses of pyridoxamine revealed an unidentified metabolite hypothesized to be N-methylpyridoxamine. Identity was established by N-methylpyridoxamine synthesis and HPLC comparison to the canine metabolite. Compound synthesis was confirmed by IR, NMR, UV-vis and emission spectroscopy. It seems to have less fluorescent character than other routinely-measured vitamin B-6 metabolites. Upon administration of substantial pyridoxamine doses, N-methylpyridoxamine appears to be a quanti. able canine urine metabolite, although, at either pharmacological or dietary pyridoxamine intakes, its relevance to vitamin B6 metabolism in other species, including humans, is not yet determined. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.013