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CHEBI:181474 - Danofloxacin mesylate

ChEBI IDCHEBI:181474
ChEBI NameDanofloxacin mesylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20FN3O3.CH4O3S
Net Charge0
Average Mass453.492
Monoisotopic Mass453.13698
SMILESCS(=O)(=O)O.[H][C@]12CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)[C@]([H])(CN1C)C2
InChIInChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
InChIKeyAPFDJSVKQNSTKF-FXMYHANSSA-N
ChEBI Ontology
Outgoing Relation(s)
Danofloxacin mesylate (CHEBI:181474) is a quinolines (CHEBI:26513)
IUPAC Name 
1-cyclopropyl-6-luoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulonic acid
Manual XrefsDatabases
64438ChemSpider
D03646KEGG DRUG
Registry NumbersSources
CAS:119478-55-6ChemIDplus