1-Cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC616205766
• CAS: 616205-76-6
• Category: Fluorinated Quinolines
• Synonyms: 8-Hydroxy Gatifloxacin
• Purity: 97%
• MDL Number: MFCD10001492

• IUPAC Name: 1-cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C18H20FN3O4/c1-9-7-21(5-4-20-9)15-13(19)6-11-14(17(15)24)22(10-2-3-10)8-12(16(11)23)18(25)26/h6,8-10,20,24H,2-5,7H2,1H3,(H,25,26)
• InChI Key: DXDATEPTOGKWES-UHFFFAOYSA-N
• Isomeric SMILES: CC1CN(CCN1)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)O)C4CC4)F

• Molecular Formula: C18H20FN3O4
• Molecular Weight: 361.37
• Storage: Keep in dark place, sealed in dry, 2-8 °C

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 361.14378429 g/mol
• Monoisotopic Mass: 361.14378429 g/mol
• Topological Polar Surface Area: 93.1Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 638