CAS: 79660-72-3; 6,8-Difluoro-1-(2-Fluoroethyl)-7-(4-Methylpiperazin-1-yl)-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid

• 英文名称6,8-Difluoro-1-(2-Fluoroethyl)-7-(4-Methylpiperazin-1-yl)-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid
• 中文名称氟罗沙星
• IUPAC名称6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 其它别名6,8-Difluoro-1-(2-Fluoroethyl)-7-(4-Methylpiperazin-1-yl)-4-Oxo-Quinoline-3-Carboxylic Acid ; 6,8-Difluoro-1-(2-Fluoroethyl)-7-(4-Methylpiperazin-1-yl)-4-Oxoquinoline-3-Carboxylic Acid ; 6,8-Difluoro-1-(2-Fluoroethyl)-1,4-Dihydro-7-(4-Methyl-1-Piperazinyl
• CAS编号79660-72-3
• MFCD编号:MFCD00864880
• EINECS号:677-525-2
• FDA UNII编号:N804LDH51K
• 分子式:C17H18F3N3O3
• 分子量:369.34
• 产品CID: 1790692
• 产品分类原料药 → 人工合成抗感染类药 → 喹诺酮类药

• 相似结构搜索
• 产品信息参考;
• InChIKey: XBJBPGROQZJDOJ-UHFFFAOYSA-N
• InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)…
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数4.0

物理性质

• 熔点264-266 °C
• 沸点535.3±50.0 °C at 760 mmHg
• 闪点277.6±30.1 °C
• 密度1.4±0.1 g/cm3
• pKa:-0.54±0.20(预测)
• PSA:65.78
• LogP:1.72
• 折射率1.568
• 蒸汽压0.0±1.5 mmHg at 25°C
• 溶解性0.1 M Naoh: Soluble10mg/mL
• 敏感性正常条件下稳定，远离氧化物。
• 外观形态白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用广谱抗菌药.
• 性质描述氟罗沙星(79660-72-3)的性状:1.急性毒性LD50小鼠,大鼠,犬(mg/kg):＞4000,＞4000,＞1000口服.急性毒性LD50小鼠(mg/kg):217～237静脉注射.2.盐酸氟罗沙星(Fleroxacin Hydr°Chloride):C17H18F3N3O3・HCl.在水中结晶,熔点269～271°C(分解).

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别STOT SE 2
• 警示词Warning(警告)
• 危险描述H371 |可能损害器官.
• 防范说明P260-P264-P270-P308+P311-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明H303+H313+H333
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 105078-26-0 = 79660-72-3 [标题:Reaction Conditions
  标题:Quinolinecarboxylic Acid Derivatives
  参考文献:South Africa]
  
  109-01-3 + 93969-13-2 = 79660-72-3
  反应条件:1.1 Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 2 H,Rt -> 100 °C2.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,85 °C2.2 Reagents: Acetic Acid; Ph 7
  标题:Ionic Liquid Promoted Synthesis Of Fleroxacin
  作者:Xu,Jianping; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(10) 页码:591-592]
  
  = 79660-72-3
  反应条件:1.1 Reagents: Potassium Carbonate,Potassium Fluoride,2,2,2-Cryptand Solvents: Water1.2 Solvents: Dichloromethane2.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  = 79660-72-3
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Dichloromethane,Tetrahydrofuran2.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  383-50-6 + 79660-46-1 = 79660-72-3 [标题:Reaction Conditions
  标题:Quinolinecarboxylic Acid Derivatives
  参考文献:South Africa]
  
  109-01-3 + 79660-65-4 = 79660-72-3
  反应条件:1.1 Solvents: Pyridine2.1 Reagents: Triethylamine Solvents: Dichloromethane3.1 Reagents: Potassium Carbonate,Potassium Fluoride,2,2,2-Cryptand Solvents: Water3.2 Solvents: Dichloromethane4.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  87-13-8 + 3862-73-5 = 79660-72-3
  反应条件:1.1 Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 30 Min,Rt -> 120 °C; 120 °C -> 200 °C2.1 Reagents: Potassium Carbonate; 10 Min,Rt2.2 Rt -> 70 °C; 3 H,70 °C3.1 Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 2 H,Rt -> 100 °C4.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,85 °C4.2 Reagents: Acetic Acid; Ph 7
  标题:Ionic Liquid Promoted Synthesis Of Fleroxacin
  作者:Xu,Jianping; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(10) 页码:591-592]
  
  105078-26-0 = 79660-72-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  105078-26-0 = 79660-72-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,85 °C1.2 Reagents: Acetic Acid; Ph 7
  标题:Ionic Liquid Promoted Synthesis Of Fleroxacin
  作者:Xu,Jianping; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(10) 页码:591-592]
  
  109-01-3 + 93969-13-2 = 79660-72-3 [标题:Reaction Conditions
  标题:Quinolinecarboxylic Acid Derivatives
  参考文献:South Africa]
  
  = 79660-72-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane2.1 Reagents: Potassium Carbonate,Potassium Fluoride,2,2,2-Cryptand Solvents: Water2.2 Solvents: Dichloromethane3.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  66715-65-9 = 79660-72-3
  反应条件:1.1 Reagents: Trimethylamine Solvents: Dichloromethane2.1 Reagents: Tetrabutylammonium Fluoride Solvents: Dichloromethane,Tetrahydrofuran3.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  79660-46-1 + 762-49-2 = 79660-72-3
  反应条件:1.1 Reagents: Potassium Carbonate; 10 Min,Rt1.2 Rt -> 70 °C; 3 H,70 °C2.1 Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 2 H,Rt -> 100 °C3.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,85 °C3.2 Reagents: Acetic Acid; Ph 7
  标题:Ionic Liquid Promoted Synthesis Of Fleroxacin
  作者:Xu,Jianping; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(10) 页码:591-592]
  
  79660-46-1 = 79660-72-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide2.1 Solvents: Pyridine3.1 Reagents: Trimethylamine Solvents: Dichloromethane4.1 Reagents: Tetrabutylammonium Fluoride Solvents: Dichloromethane,Tetrahydrofuran5.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7]
  
  79660-46-1 = 79660-72-3
  反应条件:1.1 Reagents: Tetrabutylammonium Iodide,Diisopropylethylamine Solvents: Acetonitrile2.1 Solvents: Pyridine3.1 Reagents: Triethylamine Solvents: Dichloromethane4.1 Reagents: Potassium Carbonate,Potassium Fluoride,2,2,2-Cryptand Solvents: Water4.2 Solvents: Dichloromethane5.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water
  标题:Synthesis And Biodistribution Of Fluoride-Labeled Fleroxacin
  作者:Livni,E.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1993 卷标:20(1) 页码:81-7

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2921211000-乙二胺
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