Besifloxacin

Base Information

• Chemical Name: Besifloxacin
• CAS No.: 141388-76-3
• Molecular Formula: C₁₉H₂₁ClFN₃O₃
• Molecular Weight: 393.845
• UNII: BFE2NBZ7NX
• DSSTox Substance ID: DTXSID00161706
• Nikkaji Number: J2.605.468K
• Wikipedia: Besifloxacin
• Wikidata: Q3638978
• NCI Thesaurus Code: C83553
• RXCUI: 819911
• Metabolomics Workbench ID: 149971
• ChEMBL ID: CHEMBL1201760
• Mol file: 141388-76-3.mol

Synonyms:7-((3R)-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;7-(3-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;besifloxacin;besifloxacin hydrochloride;besivance;BOL-303224-A

Chemical Property of Besifloxacin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.649
• Boiling Point: 606.976 °C at 760 mmHg
• PKA: 6.41±0.50(Predicted)
• Flash Point: 320.887 °C
• PSA: 88.56000
• Density: 1.47 g/cm³
• LogP: 3.91000
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 393.1255474
• Heavy Atom Count: 27
• Complexity: 656

Purity/Quality:

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

Besifloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F
• Isomeric SMILES: C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F
• Recent ClinicalTrials: Aqueous Absorption and Pharmacokinetics of Besivance Versus VIGAMOX in Patients Undergoing Phacoemulsification

Technology Process of Besifloxacin

There total 1 articles about Besifloxacin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

Besifloxacin hydrochloride → besifloxacin (141388-76-3)

Guidance literature:

With sodium hydroxide; In water; at 0 - 20 ℃; for 2.5h; pH=Ca. 10;

Reference yield: 88.0%

malic acid (617-48-1,78644-42-5) + besifloxacin (141388-76-3) → 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, malate salt

Guidance literature:

In methanol; water; at 0 - 80 ℃; for 2h; Temperature;

Reference yield: 65.0%

besifloxacin (141388-76-3) + oxalic acid (144-62-7,97993-78-7) → 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, oxalate salt

Guidance literature:

In methanol; water; at 0 - 80 ℃; for 2h;

Refernces