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CHEBI:192484 - ciprofloxacin zwitterion

ChEBI IDCHEBI:192484
ChEBI Nameciprofloxacin zwitterion
Stars
DefinitionA zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified23 June 2022
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H18FN3O3
Net Charge0
Average Mass331.347
Monoisotopic Mass331.13322
SMILESO=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O
InChIInChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
InChIKeyMYSWGUAQZAJSOK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ciprofloxacin zwitterion (CHEBI:192484) is a zwitterion (CHEBI:27369)
ciprofloxacin zwitterion (CHEBI:192484) is tautomer of ciprofloxacin (CHEBI:100241)
Incoming Relation(s)
ciprofloxacin (CHEBI:100241) is tautomer of ciprofloxacin zwitterion (CHEBI:192484)
IUPAC Name 
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate
Manual XrefsDatabases
CPD-12843MetaCyc
Citations