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CHEBI:100241 - ciprofloxacin

ChEBI IDCHEBI:100241
ChEBI Nameciprofloxacin
Stars
DefinitionA quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.
Secondary ChEBI IDsCHEBI:3717, CHEBI:41638, CHEBI:102718
Last Modified24 August 2022
DownloadsMolfile

FormulaC17H18FN3O3
Net Charge0
Average Mass331.347
Monoisotopic Mass331.13322
SMILESO=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)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

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
INNs  Source
ciprofloxacinum  laChemIDplus
ciprofloxacine  frChemIDplus
ciprofloxacinChemIDplus
ciprofloxacino  esChemIDplus
Synonyms  Source
CiprofloxacinKEGG COMPOUND
1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDPDBeChem
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acidChEMBL
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acidChEMBL
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acidChEMBL
ciprofloxacinChEMBL
Manual XrefsDatabases
C05349KEGG COMPOUND
CPFPDBeChem
DB00537DrugBank
D00186KEGG DRUG
DE3142854Patent
US4670444Patent
CiprofloxacinWikipedia
HMDB0014677HMDB
LSM-5226LINCS
659DrugCentral
1763VSDB
Registry NumbersSources
Reaxys:3568352Reaxys
CAS:85721-33-1KEGG COMPOUND
CAS:85721-33-1ChemIDplus
Citations