10-(1-Aminocyclopropyl)-9-Fluoro-2,3-Dihydro-3-Methyl-7-Oxo-7H-Pyrido[1,2,3-De]-1,4-Benzoxazine-6-Carboxylicacid
[CAS 127045-37-8]

Identification

• Name: 10-(1-Aminocyclopropyl)-9-Fluoro-2,3-Dihydro-3-Methyl-7-Oxo-7H-Pyrido[1,2,3-De]-1,4-Benzoxazine-6-Carboxylicacid
• Synonyms: (-)-(3S)-10-(1-Aminocyclopropyl)-9-Fluoro-2,3-Dihydro-3-Methyl-7--Oxo-7H-Pyrido(1,2,3-De)-1,4-Benzoxazine-6-Carboxylic Acid; 127046-45-1 (Hydrochloride); 163680-77-1 (Mesylate)
• Molecular Formula: C₁₆H₁₅FN₂O₄
• Molecular Weight: 318.30
• CAS Registry Number: 127045-37-8
• SMILES: C1=C(C(=C3C2=C1C(C(=CN2C(C)CO3)C(O)=O)=O)C4(CC4)N)F
• InChI: 1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)
• InChIKey: XAGMUUZPGZWTRP-UHFFFAOYSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 531.458°C at 760 mmHg (Cal.)
• Flash point: 275.216°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