SitafloxacinisomerⅢ(RRS)

• Catalog: OFC127254108
• CAS: 127254-10-8
• Category: Fluorinated Quinolines
• Synonyms: 7-((R)-7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• Purity: >98%

• IUPAC Name: 7-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13-/m0/s1
• InChI Key: PNUZDKCDAWUEGK-UHTWSYAYSA-N
• Isomeric SMILES: C1CC12CN(C[C@@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F

• Molecular Formula: C19H18ClF2N3O3
• Molecular Weight: 409.81

• XLogP3-AA: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 409.1004755 g/mol
• Monoisotopic Mass: 409.1004755 g/mol
• Topological Polar Surface Area: 86.9Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 761