8-溴-1-环丙基-6-氟-7-(3-甲基哌嗪-1-基)-4-氧代喹啉-3-羧酸
[CAS# 182868-35-5]

基本信息

• 产品名称: 8-溴-1-环丙基-6-氟-7-(3-甲基哌嗪-1-基)-4-氧代喹啉-3-羧酸
• 英文名: 8-Bromo-1-Cyclopropyl-6-Fluoro-7-(3-Methylpiperazin-1-Yl)-4-Oxoquinoline-3-Carboxylic Acid
• 别名: 8-Bromo-1-Cyclopropyl-6-Fluoro-7-(3-Methylpiperazin-1-Yl)-4-Oxo-Quinoline-3-Carboxylic Acid; 8-Bromo-1-Cyclopropyl-6-Fluoro-7-(3-Methyl-1-Piperazinyl)-4-Oxo-3-Quinolinecarboxylic Acid; 8-Bromo-1-Cyclopropyl-6-Fluoro-4-Keto-7-(3-Methylpiperazin-1-Yl)Quinoline-3-Carboxylic Acid
• 分子式: C₁₈H₁₉BrFN₃O₃
• 分子量: 424.27
• CAS 登录号: 182868-35-5
• 分子行输入简码 SMILES: C1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(O)=O)Br)N4CC(C)NCC4)F
• 国际化学标识码 InChI: 1S/C18H19BrFN3O3/c1-9-7-22(5-4-21-9)16-13(20)6-11-15(14(16)19)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)
• 国际化学标识检索码 InChIKey: ZBTVXBLYDBQQDF-UHFFFAOYSA-N

物理化学性质

• 密度: 1.614g/cm³ （计算值）
• 沸点: 611.054°C at 760 mmHg （计算值）
• 闪点: 323.354°C （计算值）

参考文献

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370