CHEBI:50688 - metronidazole benzoate

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ChEBI Name metronidazole benzoate
ChEBI ID CHEBI:50688
Definition A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H13N3O4
Net Charge 0
Average Mass 275.26000
Monoisotopic Mass 275.091
InChI InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey CUUCCLJJOWSASK-UHFFFAOYSA-N
SMILES Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O
Roles Classification
Biological Role(s): 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.
antitrichomonal drug
A drug used to treat trichomonas infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
antiparasitic agent
A substance used to treat or prevent parasitic infections.
antitrichomonal drug
A drug used to treat trichomonas infections.
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.
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ChEBI Ontology
Outgoing metronidazole benzoate (CHEBI:50688) has functional parent benzoic acid (CHEBI:30746)
metronidazole benzoate (CHEBI:50688) has functional parent metronidazole (CHEBI:6909)
metronidazole benzoate (CHEBI:50688) has role antibacterial drug (CHEBI:36047)
metronidazole benzoate (CHEBI:50688) has role antimicrobial agent (CHEBI:33281)
metronidazole benzoate (CHEBI:50688) has role antiparasitic agent (CHEBI:35442)
metronidazole benzoate (CHEBI:50688) has role antitrichomonal drug (CHEBI:50685)
metronidazole benzoate (CHEBI:50688) has role prodrug (CHEBI:50266)
metronidazole benzoate (CHEBI:50688) is a benzoate ester (CHEBI:36054)
IUPAC Name
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
Synonyms Sources
2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate ChemIDplus
Benzoylmetronidazole ChemIDplus
Brand Names Sources
Elyzol DrugBank
Flagyl S ChEBI
Flegyl DrugBank
Vertisal DrugBank
Manual Xref Database
DB00916 DrugBank
View more database links
Registry Numbers Types Sources
13182-89-3 CAS Registry Number ChemIDplus
621902 Reaxys Registry Number Reaxys
621902 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10529896 PubMed citation Europe PMC
22393879 PubMed citation Europe PMC
3759732 PubMed citation Europe PMC
7028437 PubMed citation Europe PMC
7104172 PubMed citation Europe PMC
8188787 PubMed citation Europe PMC
Last Modified
25 May 2012