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CHEBI:7008 - moxifloxacin hydrochloride

Default Structure
ChEBI IDCHEBI:7008
ChEBI Namemoxifloxacin hydrochloride
Stars
DefinitionA hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride.
Last Modified3 August 2014
DownloadsMolfile
FormulaC21H24FN3O4.HCl
Net Charge0
Average Mass437.899
Monoisotopic Mass437.15176
SMILESCl.[H][C@@]12CCCN[C@]1([H])CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1OC)C2
InChIInChI=1S/C21H24FN3O4.ClH/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);1H/t11-,16+;/m0./s1
InChIKeyIDIIJJHBXUESQI-DFIJPDEKSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial drug  A drug used to treat or prevent bacterial infections.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
antibacterial drug  A drug used to treat or prevent bacterial infections.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
moxifloxacin hydrochloride (CHEBI:7008) has part moxifloxacinium(1+) (CHEBI:63699)
moxifloxacin hydrochloride (CHEBI:7008) has role anti-inflammatory agent (CHEBI:67079)
moxifloxacin hydrochloride (CHEBI:7008) has role anti-ulcer drug (CHEBI:49201)
moxifloxacin hydrochloride (CHEBI:7008) has role antibacterial agent (CHEBI:33282)
moxifloxacin hydrochloride (CHEBI:7008) has role antibacterial drug (CHEBI:36047)
moxifloxacin hydrochloride (CHEBI:7008) has role antiinfective agent (CHEBI:35441)
moxifloxacin hydrochloride (CHEBI:7008) has role antimicrobial agent (CHEBI:33281)
moxifloxacin hydrochloride (CHEBI:7008) has role antineoplastic agent (CHEBI:35610)
moxifloxacin hydrochloride (CHEBI:7008) has role ophthalmology drug (CHEBI:66981)
moxifloxacin hydrochloride (CHEBI:7008) is a hydrochloride (CHEBI:36807)
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 hydrochloride
Synonyms  Source
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 acid, monohydrochlorideChemIDplus
(4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolol(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochlorideChemIDplus
AL-15469AChEMBL
BAY 12-8039ChEMBL
BAY-12-8039ChEMBL
Moxifloxacin (as hydrochloride)ChEMBL
Brand Name  Source
VigamoxKEGG DRUG
Manual XrefsDatabases
C08054KEGG COMPOUND
D00874KEGG DRUG
DB00218DrugBank
US2010152229Patent
US2011212990Patent
WO2011121596Patent
Registry NumbersSources
Reaxys:8377447Reaxys
CAS:186826-86-8ChemIDplus
CAS:186826-86-8KEGG COMPOUND
Citations