Danofloxacin

Base Information

• Chemical Name: Danofloxacin
• CAS No.: 112398-08-0
• Molecular Formula: C19H20 F N3 O3
• Molecular Weight: 357.385
• European Community (EC) Number: 638-772-1
• UNII: 24CU1YS91D
• Nikkaji Number: J456.660B
• Wikipedia: Danofloxacin
• Wikidata: Q5220980
• NCI Thesaurus Code: C72731
• Metabolomics Workbench ID: 144341
• ChEMBL ID: CHEMBL157548
• Mol file: 112398-08-0.mol

Synonyms:Advocid;Advocin;danofloxacin;danofloxacin mesylate

Chemical Property of Danofloxacin

Chemical Property:

• Vapor Pressure: 8.41E-14mmHg at 25°C
• Melting Point: 268-272oC
• Boiling Point: 569.3°Cat760mmHg
• PKA: 6.43±0.41(Predicted)
• Flash Point: 298.1°C
• PSA: 65.78000
• Density: 1.485g/cm³
• LogP: 2.06930
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Aqueous Base (Slightly), Chloroform (Very Slightly, Heated), Water (Slightly)
• Water Solubility.: Soluble in water, acetic acid and DMSO
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 357.14886967
• Heavy Atom Count: 26
• Complexity: 679

Purity/Quality:

98%, ^*data from raw suppliers

Danofloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-37/39-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
• Isomeric SMILES: CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
• Uses: Antibacterial (veterinary). Danofloxacin is used in veterinary medicine. It is antibacterial and antimycoplasmal drug.

Technology Process of Danofloxacin

There total 2 articles about Danofloxacin 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: 84.3%

→ danofloxacin (112398-08-0)

Guidance literature:

Reference yield: 81.0%

1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (93107-30-3) + (1S,4S)-5-methyl-2,5-diazabicyclo<2.2.1>heptane dihydrochloride (52321-26-3,127420-27-3) → danofloxacin (112398-08-0)

Guidance literature:

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 2h;

DOI:10.1021/jm00082a001

upstream raw materials:

1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

(1S,4S)-5-methyl-2,5-diazabicyclo<2.2.1>heptane dihydrochloride

Refernces

• 1、 -. "Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters". . . Retrieved 2008/06/13.