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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 Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
moxifloxacin hydrochloride (CHEBI:7008) has part moxifloxacinium(1+) (CHEBI:63699)
moxifloxacin hydrochloride (CHEBI:7008) has role antibacterial drug (CHEBI:36047)
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
Moxifloxacin HClDrugBank
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