CHEBI:50194 - pefloxacin mesylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pefloxacin mesylate
ChEBI ID CHEBI:50194
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formulae C17H20FN3O3.CH4SO3
C18H24FN3SO6
Net Charge 0
Average Mass 429.46418
Monoisotopic Mass 429.137
InChI InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
InChIKey HQQSBEDKMRHYME-UHFFFAOYSA-N
SMILES [H+].CS([O-])(=O)=O.CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pefloxacin mesylate (CHEBI:50194) has part pefloxacin (CHEBI:50199)
pefloxacin mesylate (CHEBI:50194) has role antibacterial drug (CHEBI:36047)
pefloxacin mesylate (CHEBI:50194) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
INN Source
pefloxacin mesilate ChEBI
Synonym Source
Pefloxacin methanesulfonate DrugBank
Brand Name Source
Perti ChEBI
Manual Xrefs Databases
D02307 KEGG DRUG
DB00487 DrugBank
View more database links
Registry Numbers Types Sources
4092574 Beilstein Registry Number Beilstein
70458-95-6 CAS Registry Number ChemIDplus
Last Modified
29 July 2008