(3R)-10-(1-AMINOCYCLOPROPYL)-9-FLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO[1,2,3-DE]-1,4-BENZOXAZINE-6-CARBOXYLICACID
[CAS# 166665-94-7]

Identification

• Name: (3R)-10-(1-AMINOCYCLOPROPYL)-9-FLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO[1,2,3-DE]-1,4-BENZOXAZINE-6-CARBOXYLICACID
• Molecular Formula: C₁₆H₁₅FN₂O₄
• Molecular Weight: 318.30
• CAS Registry Number: 166665-94-7
• SMILES: NC1(CC1)c4c(F)cc2c3N(/C=C(\C2=O)C(O)=O)C(C)COc34
• 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.)
• Refractive index: 1.692 (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