Merafloxacin
[CAS# 110013-21-3]

Identification

• Name: Merafloxacin
• Synonyms: 1-Ethyl-7-[3-(Ethylaminomethyl)Pyrrolidin-1-Yl]-6,8-Difluoro-4-Oxo-Quinoline-3-Carboxylic Acid; 1-Ethyl-7-[3-(Ethylaminomethyl)-1-Pyrrolidinyl]-6,8-Difluoro-4-Oxo-3-Quinolinecarboxylic Acid; 1-Ethyl-7-[3-(Ethylaminomethyl)Pyrrolidin-1-Yl]-6,8-Difluoro-4-Keto-Quinoline-3-Carboxylic Acid
• Molecular Formula: C₁₉H₂₃F₂N₃O₃
• Molecular Weight: 379.41
• CAS Registry Number: 110013-21-3
• SMILES: C1=C(F)C(=C(C2=C1C(C(=CN2CC)C(O)=O)=O)F)N3CC(CNCC)CC3
• InChI: 1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)
• InChIKey: BAYYCLWCHFVRLV-UHFFFAOYSA-N

Properties

• Desity: 1.305g/cm³ (Cal.)
• Boiling point: 545.78°C at 760 mmHg (Cal.)
• Flash point: 283.878°C (Cal.)

References

• (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