Methyl 1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

• Catalog: OFC721970350
• CAS: 721970-35-0
• Category: Fluorinated Quinolines
• Synonyms: Moxifloxacin Methyl Ester
• Purity: 97%
• MDL Number: MFCD29924022

• IUPAC Name: methyl 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
• InChI: InChI=1S/C22H26FN3O4/c1-29-21-18-14(20(27)15(22(28)30-2)10-26(18)13-5-6-13)8-16(23)19(21)25-9-12-4-3-7-24-17(12)11-25/h8,10,12-13,17,24H,3-7,9,11H2,1-2H3/t12-,17+/m0/s1
• InChI Key: BUKHHABNOWGLMO-YVEFUNNKSA-N
• Isomeric SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)OC

• Molecular Formula: C22H26FN3O4
• Molecular Weight: 415.46
• Storage: Keep in dark place, sealed in dry, 2-8 °C

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 415.19073448 g/mol
• Monoisotopic Mass: 415.19073448 g/mol
• Topological Polar Surface Area: 71.1Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 742