dibutyl[4-(hydroxy-κO)-2-methyl-N-(pyridin-2-yl-κN)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxidato(2-)-κN3]tin | 322745-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dibutyl[4-(hydroxy-κO)-2-methyl-N-(pyridin-2-yl-κN)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxidato(2-)-κN3]tin
• CAS: 322745-56-2
• 化学式: C₂₁H₂₇N₃O₄S₂Sn
• 分子量: 568.305
• InChiKey: ZJFCFUMJJUZCJF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  二正丁基氧化锡 、 替诺昔康 以 苯 为溶剂， 生成 dibutyl[4-(hydroxy-κO)-2-methyl-N-(pyridin-2-yl-κN)-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxidato(2-)-κN3]tin
  参考文献：
  名称：

  摘要：

  The synthesis and spectral characterization of the novel organotin complexes [SnBu2(ten)] (1) and [SnBu2(Hten)(2)] (2) or the potent and widely used anti-inflammatory drug tenoxicam (H(2)ten) are reported. A crystal-structure determination of 1 showed that, in this complex, the ligand is doubly deprotonated at the hydroxy O-atom and the amide N atom and is coordinated to the SnBu2 fragment via four- and six-membered chelate rings. An extended network of Sn - O - Sn, C - H ... O and C - H ... pi contacts lead to aggregation and a supramolecular assembly. Potentiometric titrations in nonaqueous solutions support the ionization of the drug by removal of the second H-atom, the amide H-atom, in the presence of thr diorganotin(IV) fragment. The K-a values of the poorly H2O-soluble drug tenoxicam were obtained spectrophotometrically in aqueous solutions of constant ionic strength.

  DOI：

  10.1002/1522-2675(20001004)83:10<2787::aid-hlca2787>3.0.co;2-6