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CHEBI:201487 - Pefloxacin mesylate dihydrate

ChEBI IDCHEBI:201487
ChEBI NamePefloxacin mesylate dihydrate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20FN3O3.CH4O3S.2H2O
Net Charge0
Average Mass465.500
Monoisotopic Mass465.15811
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O.O.O
InChIInChI=1S/C17H20FN3O3.CH4O3S.2H2O/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);2*1H2
InChIKeyLEULAXMUNMRLPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pefloxacin mesylate dihydrate (CHEBI:201487) is a quinolines (CHEBI:26513)
IUPAC Name 
1-ethyl-6-luoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulonic acid;dihydrate
Manual XrefsDatabases
5292900ChemSpider