7-(7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--water (2/3)

Base Information

• Chemical Name: 7-(7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--water (2/3)
• CAS No.: 163253-35-8
• Molecular Formula: 2(C19H18ClF2N3O3)^.3(H2O)
• Molecular Weight: 873.67
• Hs Code.: 2941900000
• DSSTox Substance ID: DTXSID70936807
• Mol file: 163253-35-8.mol

Synonyms:DTXSID70936807;7-(7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--water (2/3)

Chemical Property of 7-(7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--water (2/3)

Chemical Property:

• Vapor Pressure: 1.06E-16mmHg at 25°C
• Melting Point: 145-147°C (dec.)
• Boiling Point: 629.2oC at 760mmHg
• Flash Point: 334.3oC
• PSA: 97.79000
• LogP: 3.40360
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated)
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 872.2326450
• Heavy Atom Count: 59
• Complexity: 761

Purity/Quality:

99% ^*data from raw suppliers

Sitafloxacin Sesquihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F.C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F.O.O.O
• Isomeric SMILES: C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F.C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F.O.O.O
• Description: The fluoroquinolone antibacterial agent sitafloxacin hydrate was developed by Daiichi Sankyo and was approved and launched last year in Japan. Sitafloxacin’s mode of action is through inhibition of DNA gyrase and topoisomerase IV. It is indicated for the treatment of inflammatory infections such as laryngopharyngitis, adenoiditis, acute bronchitis, pneumonia, secondary infections due to chronic respiratory lesions, cystitis, pyelonephritis, urethritis, cervicitis, otitismedia, sinusitis, periodontitis, and pericoronitis and jaw inflammation. Due to its broad spectrum of potent antibacterial activity, sitafloxacin is expected to be clinically effective in treating severe cases of bacterial infection, relapse/recrudescence of infection and infections in which resistant bacteria are suspected to be the cause.
• Uses: Sitafloxacin is a new-generation, broad-spectrum oral fluoroquinolone antibiotic. It is very active against many Gram-positive, Gram-negative and anaerobic clinical isolates, including strains resistant to other fluoroquinolones, was recently approved in Antibacterial