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CHEBI:50687 - metronidazole hydrochloride

Default Structure
ChEBI IDCHEBI:50687
ChEBI Namemetronidazole hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the mixture of equimolar amounts of metronidazole and hydrogen chloride.
Last Modified28 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9N3O3.HCl
Net Charge0
Average Mass207.617
Monoisotopic Mass207.04107
SMILESCc1ncc([N+](=O)[O-])n1CCO.Cl
InChIInChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H
InChIKeyFPTPAIQTXYFGJC-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
antitrichomonal drug  A drug used to treat trichomonas infections.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antibacterial drug  A drug used to treat or prevent bacterial infections.
antiamoebic agent  An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae.
antiparasitic agent  A substance used to treat or prevent parasitic infections.
antitrichomonal drug  A drug used to treat trichomonas infections.
ChEBI Ontology
Outgoing Relation(s)
metronidazole hydrochloride (CHEBI:50687) has part metronidazole(1+) (CHEBI:64682)
metronidazole hydrochloride (CHEBI:50687) has role antiamoebic agent (CHEBI:171664)
metronidazole hydrochloride (CHEBI:50687) has role antibacterial drug (CHEBI:36047)
metronidazole hydrochloride (CHEBI:50687) has role antimicrobial agent (CHEBI:33281)
metronidazole hydrochloride (CHEBI:50687) has role antiparasitic agent (CHEBI:35442)
metronidazole hydrochloride (CHEBI:50687) has role antitrichomonal drug (CHEBI:50685)
metronidazole hydrochloride (CHEBI:50687) has role prodrug (CHEBI:50266)
metronidazole hydrochloride (CHEBI:50687) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol hydrochloride
Synonyms  Source
2-Methyl-5-nitroimidazole-1-ethanol hydrochlorideChemIDplus
2-Methyl-5-nitroimidazole-1-ethanol monohydrochlorideChemIDplus
Metronidazole HClChemIDplus
Brand Name  Source
FlagylDrugBank
Manual XrefsDatabases
D05016KEGG DRUG
DB00916DrugBank
Registry NumbersSources
Reaxys:11001903Reaxys
CAS:69198-10-3ChemIDplus
Citations