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CHEBI:50199 - pefloxacin

ChEBI IDCHEBI:50199
ChEBI Namepefloxacin
Stars
DefinitionA quinolone that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6 and 7 by ethyl, carboxy, fluorine, and 4-methylpiperazin-1-yl groups, respectively.
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC17H20FN3O3
Net Charge0
Average Mass333.363
Monoisotopic Mass333.14887
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
InChIKeyFHFYDNQZQSQIAI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
antibacterial drug  A drug used to treat or prevent bacterial infections.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
antibacterial drug  A drug used to treat or prevent bacterial infections.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
pefloxacin (CHEBI:50199) has role antibacterial drug (CHEBI:36047)
pefloxacin (CHEBI:50199) has role antiinfective agent (CHEBI:35441)
pefloxacin (CHEBI:50199) has role DNA synthesis inhibitor (CHEBI:59517)
pefloxacin (CHEBI:50199) is a N-alkylpiperazine (CHEBI:46845)
pefloxacin (CHEBI:50199) is a N-arylpiperazine (CHEBI:46848)
pefloxacin (CHEBI:50199) is a fluoroquinolone antibiotic (CHEBI:87211)
pefloxacin (CHEBI:50199) is a monocarboxylic acid (CHEBI:25384)
pefloxacin (CHEBI:50199) is a quinolone (CHEBI:23765)
pefloxacin (CHEBI:50199) is a quinolone antibiotic (CHEBI:86324)
Incoming Relation(s)
pefloxacin mesylate (CHEBI:50194) has part pefloxacin (CHEBI:50199)
IUPAC Name 
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
INNs  Source
pefloxacinChemIDplus
pefloxacinoChemIDplus
pefloxacinumChemIDplus
Synonyms  Source
PefloxacineChemIDplus
PFLXDrugBank
perfloxacinChEBI
Brand Name  Source
LaboctonChEBI
Manual XrefsDatabases
DB00487DrugBank
D02306KEGG DRUG
DE2840910Patent
US4292317Patent
PefloxacinWikipedia
HMDB0014630HMDB
LSM-5653LINCS
US5095112Patent
2071DrugCentral
Registry NumbersSources
Reaxys:567618Reaxys
CAS:70458-92-3ChemIDplus
Citations