3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate

Base Information

• Chemical Name: 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate
• CAS No.: 223652-82-2
• Molecular Formula: C24H24F2N2O7S
• Molecular Weight: 522.52
• UNII: 437ZKU48CF
• DSSTox Substance ID: DTXSID4058732
• Wikidata: Q27258626
• NCI Thesaurus Code: C65801
• Mol file: 223652-82-2.mol

Synonyms:BMS 284756;BMS-284756;BMS284756;garenoxacin

Chemical Property of 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate

Chemical Property:

• Boiling Point: 581.5°Cat760mmHg
• Flash Point: 305.5°C
• PSA: 143.31000
• Density: 1.421g/cm³
• LogP: 5.38080
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 522.12722861
• Heavy Atom Count: 36
• Complexity: 863

Purity/Quality:

98%,99%, ^*data from raw suppliers

GARENOXACIN MESYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O
• Isomeric SMILES: C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O
• Recent EU Clinical Trials: A multicenter, randomized, controlled study comparing the efficacy and safety of 48 weeks of 40kD branched pegylated interferon alfa-2a (PEGASYS, Ro 25-8310) versus 96 weeks of PEGASYS, alone or in combination with 100 mg lamivudine for 48 weeks in patients with HBeAg-negative chronic hepatitis B.
• Uses: Antibacterial agent.