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CHEBI:183823 - Orbifloxacin

ChEBI IDCHEBI:183823
ChEBI NameOrbifloxacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20F3N3O3
Net Charge0
Average Mass395.381
Monoisotopic Mass395.14568
SMILESC[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
InChIInChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
InChIKeyQIPQASLPWJVQMH-DTORHVGOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
Orbifloxacin (CHEBI:183823) is a quinolines (CHEBI:26513)
IUPAC Name 
1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-triluoro-4-oxoquinoline-3-carboxylic acid
Manual XrefsDatabases
DB11443DrugBank
D08299KEGG DRUG
54631ChemSpider
Registry NumbersSources
CAS:113617-63-3ChemIDplus