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Temafloxacin hydrochloride - 97%, high purity , Bacterial DNA gyrase inhibitor, CAS No.105784-61-0, Bacterial DNA gyrase inhibitor
Basic Description
Synonyms
BCP26073 | OC5IGJ7J6I | 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, monohydrochloride, (+-)- | SCHEMBL134293 | TEMAFLOXACIN HYDROCHLORIDE | TEMAFLOXACINHYDROCHLORIDE | Temafloxacin HCl | TEMAF
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Action Type
INHIBITOR
Mechanism of action
Bacterial DNA gyrase inhibitor
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 Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides 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 - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organofluoride - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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.
Names and Identifiers
IUPAC Name
1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
INCHI
InChI=1S/C21H18F3N3O3.ClH/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23;/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30);1H
InChIKey
DDVJEYDLTXRYAJ-UHFFFAOYSA-N
Smiles
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F.Cl
Isomeric SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F.Cl
PubChem CID
60020
Molecular Weight
453.85
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
453.800 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
3
Exact Mass
453.107 Da
Monoisotopic Mass
453.107 Da
Topological Polar Surface Area
72.900 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
721.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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