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CAS 163253-35-8

:

7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate

Description:
The chemical substance known as "7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate," with the CAS number 163253-35-8, is a complex organic compound characterized by its unique structural features. It contains a quinoline core, which is a bicyclic structure known for its biological activity, particularly in medicinal chemistry. The presence of multiple functional groups, including an amino group, a carboxylic acid, and halogen substituents (chlorine and fluorine), suggests potential interactions with biological targets, making it of interest in drug development. The spirocyclic structure contributes to its three-dimensional conformation, which can influence its pharmacokinetic properties. Additionally, the hydrate form indicates that the compound can associate with water molecules, which may affect its solubility and stability. Overall, this compound's intricate structure and functionalization position it as a candidate for further investigation in therapeutic applications, particularly in the context of antimicrobial or anticancer research.
Formula:C19H20ClF2N3O4
InChI:InChI=1/C19H18ClF2N3O3.H2O/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);1H2/t10-,12?,13+;/m0./s1
InChI key:PNUZDKCDAWUEGK-CYZMBNFOSA-N
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
Synonyms:
  • 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 Sesquihydrate
  • Sitafloxacin hydrate
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