CHEBI:63611 - moxifloxacin

ChEBI IDCHEBI:63611
ChEBI Namemoxifloxacin
Stars
DefinitionA quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.
Secondary ChEBI IDCHEBI:7007
Last Modified15 August 2019
DownloadsMolfile
FormulaC21H24FN3O4
Net Charge0
Average Mass401.438
Monoisotopic Mass401.17508
SMILES[H][C@@]12CCCN[C@]1([H])CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1OC)C2
InChIInChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
InChIKeyFABPRXSRWADJSP-MEDUHNTESA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
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.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
moxifloxacin (CHEBI:63611) has role antibacterial drug (CHEBI:36047)
moxifloxacin (CHEBI:63611) is a aromatic ether (CHEBI:35618)
moxifloxacin (CHEBI:63611) is a cyclopropanes (CHEBI:51454)
moxifloxacin (CHEBI:63611) is a fluoroquinolone antibiotic (CHEBI:87211)
moxifloxacin (CHEBI:63611) is a pyrrolidinopiperidine (CHEBI:63697)
moxifloxacin (CHEBI:63611) is a quinolinemonocarboxylic acid (CHEBI:26512)
moxifloxacin (CHEBI:63611) is a quinolone (CHEBI:23765)
moxifloxacin (CHEBI:63611) is a quinolone antibiotic (CHEBI:86324)
moxifloxacin (CHEBI:63611) is conjugate base of moxifloxacinium(1+) (CHEBI:63699)
Incoming Relation(s)
moxifloxacinium(1+) (CHEBI:63699) is conjugate acid of moxifloxacin (CHEBI:63611)
IUPAC Name 
1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
INN  Source
moxifloxacinChemIDplus
Synonyms  Source
MoxifloxacinKEGG COMPOUND
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acidChemIDplus
Manual XrefsDatabases
C07663KEGG COMPOUND
EP550903Patent
D08237KEGG DRUG
DB00218DrugBank
MoxifloxacinWikipedia
LSM-5746LINCS
1854DrugCentral
2983VSDB
Registry NumbersSources
Reaxys:8365827Reaxys
CAS:151096-09-2ChemIDplus
CAS:151096-09-2KEGG COMPOUND