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CHEBI:192798 - sulfociprofloxacin

ChEBI IDCHEBI:192798
ChEBI Namesulfociprofloxacin
Stars
DefinitionAn organosulfonic acid that is ciprofloxacin carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin.
Last Modified29 July 2022
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H18FN3O6S
Net Charge0
Average Mass411.411
Monoisotopic Mass411.09003
SMILESO=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)O)CC3)c(F)cc2c1=O
InChIInChI=1S/C17H18FN3O6S/c18-13-7-11-14(21(10-1-2-10)9-12(16(11)22)17(23)24)8-15(13)19-3-5-20(6-4-19)28(25,26)27/h7-10H,1-6H2,(H,23,24)(H,25,26,27)
InChIKeySDLYZOYQWKDWJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
bile (BTO:0000121) PubMed (3790196)
Urine (NCIT:C13283) PubMed (34624141)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
sulfociprofloxacin (CHEBI:192798) has functional parent ciprofloxacin (CHEBI:100241)
sulfociprofloxacin (CHEBI:192798) has role drug metabolite (CHEBI:49103)
sulfociprofloxacin (CHEBI:192798) has role human urinary metabolite (CHEBI:84087)
sulfociprofloxacin (CHEBI:192798) is a N-arylpiperazine (CHEBI:46848)
sulfociprofloxacin (CHEBI:192798) is a cyclopropanes (CHEBI:51454)
sulfociprofloxacin (CHEBI:192798) is a fluoroquinolone antibiotic (CHEBI:87211)
sulfociprofloxacin (CHEBI:192798) is a organosulfonic acid (CHEBI:33551)
sulfociprofloxacin (CHEBI:192798) is a quinolinemonocarboxylic acid (CHEBI:26512)
sulfociprofloxacin (CHEBI:192798) is a quinolone (CHEBI:23765)
sulfociprofloxacin (CHEBI:192798) is a quinolone antibiotic (CHEBI:86324)
IUPAC Name 
1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Synonyms  Source
ciprofloxacin piperazinyl-N4-sulfateChEBI
Bay-s 9435ChemIDplus
BAY-s-9435HMDB
Bay s 9435ChEBI
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfopiperazino)-3-quinolinecarboxylic acidChEBI
sulfo-ciprofloxacinChEBI
Manual XrefsDatabases
HMDB0242136HMDB
Registry NumbersSources
CAS:105093-21-8ChemIDplus
Citations