8-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]Pyridin-6-Yl]-1-Cyclopropyl-7-Fluoro-9-Methyl-4-Oxoquinolizine-3-Carboxylic Acid
[CAS 186293-38-9]

Identification

• Name: 8-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]Pyridin-6-Yl]-1-Cyclopropyl-7-Fluoro-9-Methyl-4-Oxoquinolizine-3-Carboxylic Acid
• Synonyms: 8-[(4As,7As)-1,2,3,4,4A,5,7,7A-Octahydropyrrolo[3,4-B]Pyridin-6-Yl]-1-Cyclopropyl-7-Fluoro-9-Methyl-4-Oxo-Quinolizine-3-Carboxylic Acid; 8-[(4As,7As)-1,2,3,4,4A,5,7,7A-Octahydropyrrolo[3,4-B]Pyridin-6-Yl]-1-Cyclopropyl-7-Fluoro-9-Methyl-4-Oxo-3-Quinolizinecarboxylic Acid; 8-[(4As,7As)-1,2,3,4,4A,5,7,7A-Octahydropyrrolo[3,4-B]Pyridin-6-Yl]-1-Cyclopropyl-7-Fluoro-4-Keto-9-Methyl-Quinolizine-3-Carboxylic Acid
• Molecular Formula: C₂₁H₂₄FN₃O₃
• Molecular Weight: 385.44
• CAS Registry Number: 186293-38-9
• SMILES: [C@H]15NCCC[C@H]1CN(C4=C(C3=C(C2CC2)C=C(C(=O)N3C=C4F)C(=O)O)C)C5
• InChI: 1S/C21H24FN3O3/c1-11-18-14(12-4-5-12)7-15(21(27)28)20(26)25(18)9-16(22)19(11)24-8-13-3-2-6-23-17(13)10-24/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28)/t13-,17+/m0/s1
• InChIKey: LPFFKRSIFTURFF-SUMWQHHRSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 539.756°C at 760 mmHg (Cal.)
• Flash point: 280.235°C (Cal.)