5-aminosulfonyl-4-chloro-2-((2-furanylmethyl)amino)benzoic acid hydrochloride | 42461-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-aminosulfonyl-4-chloro-2-((2-furanylmethyl)amino)benzoic acid hydrochloride
• 英文别名: Furosemide hydrochloride；4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;hydrochloride
• CAS: 42461-27-8
• 化学式: C₁₂H₁₁ClN₂O₅S*ClH
• 分子量: 367.21
• InChiKey: NXDBFIUCDBZBPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 5-aminosulfonyl-4-chloro-2-((2-furanylmethyl)amino)benzoic acid hydrochloride 在 NaOH 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structural, spectral and EPR studies on the copper(II) complex of 5-(aminosulphonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoic acid (Furosemide)

  摘要：

  The copper(II) complexes of Furosemide (Fu) widely used as a diuretic were synthesized and isolated from aqueous and methanol solutions as CuFu2.2Solv and characterized by elemental analysis, single crystal X-ray diffraction, UV-vis and IR spectroscopy, EPR and magnetic susceptibility measurements. The complex CuFU2. 2MeOH was isolated from methanol solutions as green crystals. Its structure consists of flattened molecules arranged in stacks. A centrosymmetric CuO6 elongated bipyramid is formed around copper(II) by four oxygens from the COO- groups and two from the MeOH. The COO- groups act as bridges between the copper(II) atoms with two oxygens in the equatorial plane (Cu-O distance of 1.924 angstrom) and the other two in apical positions at 2.720 angstrom. The methanol oxygens are at an intermediate distance of 1.941 angstrom. The Cu-Cu separation is 4.749 angstrom. Hydrogen bonding occurs within and between the molecules.

  DOI：

  10.1016/s0277-5387(00)83747-x