Sitafloxacin Sesquihydrate

CAS: 163253-35-8

Ref. TR-S490920

Product Information

• Name: Sitafloxacin Sesquihydrate
• Synonyms: 3-Quinolinecarboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:3), 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro[2.4]hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, hydrate (2:3), [1R-[1a(S*),2a]]-, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrate (1:1), Sitafkoxacin hydrate, Sitafloxacin hydrate

Description

Applications Antibacterial
References Suzuki, T., et al.: Anal. Sci., 16, 343 (2000), Payne G., et al.: Brit. J. Clin. Pharmacol., 59, 244 (2005), Okuda J., et al.: Microbiol. immunol., 51, 467 (2007), Okumura R., et al.: Chemother., 55, 262 (2009),

• Brand: TRC

Chemical properties

• Molecular weight: 873.67
• Formula: C₁₉H₁₈ClF₂N₃O₃H₂O
• Color/Form: White To Off-White
• InChI: InChI=1S/2C19H18ClF2N3O3.3H2O/c2*20-14-15-8(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;;;/h2*3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);3*1H2/t2*10-,12+,13+;;;/m00.../s1
• InChI key: InChIKey=MPORYQCGWFQFLA-ONPDANIMSA-N
• SMILES: N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2.N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2.O.O.O