Gemifloxacin
[CAS# 204519-64-2]

Identification

• Name: Gemifloxacin
• Synonyms: 7-[(4Z)-3-(Aminomethyl)-4-Methoxyiminopyrrolidin-1-Yl]-1-Cyclopropyl-6-Fluoro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid; 7-[3-(Aminomethyl)-4-Methoxyimino-Pyrrolidin-1-Yl]-1-Cyclopropyl-6-Fluoro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid; 7-[(4Z)-3-(Aminomethyl)-4-Methoxyimino-Pyrrolidin-1-Yl]-1-Cyclopropyl-6-Fluoro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid
• Molecular Formula: C₁₈H₂₀FN₅O₄
• Molecular Weight: 389.39
• CAS Registry Number: 204519-64-2
• SMILES: C1=C(F)C(=NC2=C1C(=O)C(=CN2C3CC3)C(O)=O)N4C\C(=N/OC)C(C4)CN
• InChI: 1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
• InChIKey: ZRCVYEYHRGVLOC-HYARGMPZSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 638.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 340.2±34.3°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