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ChEBI
> Main
CHEBI:50688 - metronidazole benzoate
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ChEBI Ontology
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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.
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Molfile
Formula
C13H13N3O4
Net Charge
0
Average Mass
275.26000
Monoisotopic Mass
275.09061
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.
View more via ChEBI Ontology
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-1
H
-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
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