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metronidazole benzoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_50688

A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.

Term info

Label

metronidazole benzoate

Synonyms
  • 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
database cross reference
Subsets

3_STAR

BRAND NAME
Elyzol [ DrugBank ]

IUPAC NAME
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate [ IUPAC ]

BRAND NAME
Vertisal [ DrugBank ]

BRAND NAME
Flegyl [ DrugBank ]

BRAND NAME
Flagyl S [ ChEBI ]

charge

0

formula

C13H13N3O4

has obo namespace

chebi_ontology

has related synonym

Vertisal, Benzoylmetronidazole, Elyzol, 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate, Flegyl, Flagyl S

id

CHEBI:50688

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

mass

275.26000

monoisotopicmass

275.09061

smiles

Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O