sulfociprofloxacin (CHEBI:192798)

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ChEBI Name	sulfociprofloxacin

ChEBI ID	CHEBI:192798

Definition	An organosulfonic acid that is ciprofloxacin carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	R. Stephan

Supplier Information

Download	Molfile XML SDF

Formula

C17H18FN3O6S

Net Charge

Average Mass

411.400

Monoisotopic Mass

411.09003

InChI

InChI=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)

InChIKey

SDLYZOYQWKDWJG-UHFFFAOYSA-N

SMILES

OC(=O)C1=CN(C2CC2)C2=CC(N3CCN(CC3)S(O)(=O)=O)=C(F)C=C2C1=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in bile (BTO:0000121). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in Urine (NCIT:C13283). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	drug metabolite 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. (via fluoroquinolone antibiotic ) (via heterocyclic antibiotic ) (via quinolone antibiotic )

ChEBI Ontology
Outgoing	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	Sources
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfopiperazino)-3-quinolinecarboxylic acid	ChEBI
Bay s 9435	ChEBI
Bay-s 9435	ChemIDplus
BAY-s-9435	HMDB
ciprofloxacin piperazinyl-N⁴-sulfate	ChEBI
sulfo-ciprofloxacin	ChEBI

Registry Number	Type	Source
105093-21-8	CAS Registry Number	ChemIDplus

Last Modified

29 July 2022