EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53749 - gemifloxacin mesylate

ChEBI IDCHEBI:53749
ChEBI Namegemifloxacin mesylate
Stars
DefinitionThe mesylate salt of gemifloxacin.
Last Modified4 December 2009
SubmitterSteve
DownloadsMolfile
FormulaC18H20FN5O4.CH4O3S
Net Charge0
Average Mass485.494
Monoisotopic Mass485.13805
SMILESCO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O
InChIInChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;
InChIKeyJIYMVSQRGZEYAX-CWUUNJJBSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
topoisomerase IV inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
ChEBI Ontology
Outgoing Relation(s)
gemifloxacin mesylate (CHEBI:53749) has part gemifloxacin (CHEBI:101853)
gemifloxacin mesylate (CHEBI:53749) has role antimicrobial agent (CHEBI:33281)
gemifloxacin mesylate (CHEBI:53749) has role topoisomerase IV inhibitor (CHEBI:53559)
gemifloxacin mesylate (CHEBI:53749) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid methanesulfonate
Manual XrefsDatabases
DB01155DrugBank
D02471KEGG DRUG
Registry NumbersSources
Beilstein:9176911Beilstein
CAS:210353-53-0KEGG DRUG
CAS:210353-53-0ChemIDplus