cephalexin, sodium salt | 38932-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: cephalexin, sodium salt
• 英文别名: cephalexin Na-salt；sodium;7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 38932-40-0；56337-81-6
• 化学式: C₁₆H₁₆N₃O₄S*Na
• 分子量: 369.377
• InChiKey: NZDYPHVJLWMLJI-UHFFFAOYSA-M

物化性质

• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -3.89
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  aquapentaamminecobalt(III) perchlorate 、 cephalexin, sodium salt 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  SYNTHESIS AND INTRAMOLECULAR EXCITED STATE ELECTRON TRANSFER OF [Co(NH₃)₅-CEPHALEXIN]²⁺COMPLEX

  摘要：

  [Co(NH3)(5)-cephalexin](2+) has been synthesized and characterized by elemental analyses, IR and UV-Visible spectroscopy as well as photochemical and thermal studies. The electronic spectrum of the complex in DMF shows two bands at 358 and 267 rim, which are assigned to intraligand charge transfer and pi-pi* transitions, respectively. The fluorescence of the cephalexin is quenched by excited state electron transfer to Co(Ill). As a consequence, the cephalexin is oxidized while Co(Ill) is reduced to Co(II) ion with quantum yield (phi) = 0.03 +/- 0.002, at exciting wave length (lambda(irr)) = 298 nm. A reaction mechanism is proposed. The thermal decomposition of the complex was studied in static air. On the basis of the thermogravimetric curves, some decomposition could be correlated with the proper decomposition products.

  DOI：

  10.1081/sim-120014862

文献信息

• AN INVESTIGATION OF THE Cu(II) COMPLEXES OF CERTAIN CEPHALOSPORIN ANTIBIOTICS: SPECTRAL, THERMAL, AND PHOTOCHEMICAL STUDIES
  作者：Ahmed Osman、Aref Aly、Nagwa Abo El-Maali、Gamil Al-Hazmi

  DOI：10.1081/sim-120014306

  日期：2002.9.18

  Cu(II) complexes of some cephalosporin antibiotics were synthesized and characterized: [Cu(ATB)Cl]ċ-xH2O, [Cu(ATB)2]ċxH2O and [Cu(ATB)2]ċxH2, where HATB=cephalexin, cephapirin, cefamandole, cefuroxime or cefotaxime, H2ATB=ceftazidime and x=1–4. The stoichiometries and structures of the complexes were deduced from their elemental analyses, IR and electronic spectra and thermal decomposition. Thermal stabilities

  摘要 合成并表征了一些头孢菌素类抗生素的 Cu(II) 配合物：[Cu(ATB)Cl]ċ-xH2O、[Cu(ATB)2]ċxH2O 和 [Cu(ATB)2]ċxH2，其中 HATB=头孢氨苄，头孢匹林，头孢孟多，头孢呋辛或头孢噻肟，H2ATB=头孢他啶，x=1-4。配合物的化学计量和结构是从它们的元素分析、红外光谱和电子光谱以及热分解中推断出来的。讨论了配合物的热稳定性，并使用 Coats-Redfern 和 Horowitz-Metzger 方程计算了动力学参数。研究了配合物的光化学行为。照射后，头孢孟多的Cu(II)配合物经历了两个竞争过程，一个是光降解，另一个是分子内夺氢，从光谱变化可以看出。