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Difloxacin hydrochloride - 10mM in DMSO, high purity , CAS No.91296-86-5
Basic Description
Synonyms
DIFLOXACIN HYDROCHLORIDE | 91296-86-5 | Difloxacin HCl | Difluoxacin hydrochloride | ABBOTT-56619 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride | Difloxacin monohydrochloride | UNII-XJ0260HJ0O | NSC-75
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Difloxacin inhibits bacterial DNA gyrase and the topoisomerase II enzyme, which inhibits DNA replication and transcription Fluoroquinolone antibacterial compound. Structurally related to norfloxacin. Pefloxacin is a synthetic fluoroquinolone that func
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Quinoline carboxylic acids Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Fluorobenzenes N-methylpiperazines Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylquinoline - Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Halobenzene - Fluorobenzene - Benzenoid - 1,4-diazinane - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Piperazine - Aryl halide - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
INCHI
InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
InChIKey
JFMGBGLSDVIOHL-UHFFFAOYSA-N
Smiles
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
Isomeric SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
WGK Germany
3
PubChem CID
56205
Molecular Weight
435.85
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
435.800 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
3
Exact Mass
435.116 Da
Monoisotopic Mass
435.116 Da
Topological Polar Surface Area
64.099 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
672.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Ye Jiang, Xiaochan Wang, Guo Zhao, Yinyan Shi, Yao Wu.
(2023)
In-situ SERS detection of quinolone antibiotic residues in aquaculture water by multifunctional Fe3O4@mTiO2@Ag nanoparticles. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
302
(123056).
2.
Weie Wang, Qinqin Sang, Ming Yang, Juan Du, Libin Yang, Xin Jiang, Xiaoxia Han, Bing Zhao.
(2020)
Detection of several quinolone antibiotic residues in water based on Ag-TiO2 SERS strategy. SCIENCE OF THE TOTAL ENVIRONMENT,
702
(134956).
3.
Guowen Qin, Huilin Song, Dan Wu, Yuqi Zhang, Peiqi Li, Kaidi Zhang, Yang Zheng, Shunli Ji.
(2024)
Design of a novel green bio-based organic–inorganic hybrid material for cost-effective and sustainable monitoring of antibiotic residues. GREEN CHEMISTRY,
4.
Furong Tang, Ting Zou, Ziyi Wang, Juan Zhang.
(2024)
Fabrication of fluorinated triazine-based covalent organic frameworks for selective extraction of fluoroquinolone in milk. JOURNAL OF CHROMATOGRAPHY A,
1730
(465078).
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4 Citations