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CHEBI:50194 - pefloxacin mesylate

ChEBI IDCHEBI:50194
ChEBI Namepefloxacin mesylate
Stars
Last Modified29 July 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaH.C17H20FN3O3.CH3O3S
Net Charge0
Average Mass429.470
Monoisotopic Mass429.13698
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)[O-].[H+]
InChIInChI=1S/C17H20FN3O3.CH4O3S/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;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
InChIKeyHQQSBEDKMRHYME-UHFFFAOYSA-N
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
pefloxacin mesylate (CHEBI:50194) has part pefloxacin (CHEBI:50199)
pefloxacin mesylate (CHEBI:50194) has role antibacterial drug (CHEBI:36047)
pefloxacin mesylate (CHEBI:50194) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
INN  Source
pefloxacin mesilateChEBI
Synonym  Source
Pefloxacin methanesulfonateDrugBank
Brand Name  Source
PertiChEBI
Manual XrefsDatabases
D02307KEGG DRUG
DB00487DrugBank
Registry NumbersSources
Beilstein:4092574Beilstein
CAS:70458-95-6ChemIDplus