1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC151213159
• CAS: 151213-15-9
• Category: Fluorinated Quinolines
• Synonyms: 8-Desmethoxy-8-fluoro Moxifloxacin
• Purity: 95%
• MDL Number: MFCD21364378

• IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C20H21F2N3O3/c21-14-6-12-17(25(11-3-4-11)8-13(19(12)26)20(27)28)16(22)18(14)24-7-10-2-1-5-23-15(10)9-24/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1
• InChI Key: WEXQOLCYKFJAJZ-ZUZCIYMTSA-N
• Isomeric SMILES: C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F
• EC Number: 604-776-7

• Molecular Formula: C20H21F2N3O3
• Molecular Weight: 389.40
• Storage: Inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 389.15509786 g/mol
• Monoisotopic Mass: 389.15509786 g/mol
• Topological Polar Surface Area: 72.9Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 713