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CHEBI:50688 - metronidazole benzoate
| Formula | C13H13N3O4 |
| Net Charge | 0 |
| Average Mass | 275.264 |
| Monoisotopic Mass | 275.09061 |
| SMILES | Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1 |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | antitrichomonal drug A drug used to treat trichomonas infections. 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. |
| Applications: | antitrichomonal drug A drug used to treat trichomonas infections. antibacterial drug A drug used to treat or prevent bacterial 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. antiparasitic agent A substance used to treat or prevent parasitic infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| Benzoylmetronidazole | ChemIDplus |
| 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate | ChemIDplus |
| Brand Names | Source |
|---|---|
| Elyzol | DrugBank |
| Flegyl | DrugBank |
| Vertisal | DrugBank |
| Flagyl S | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| DB00916 | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Reaxys:621902 | Reaxys |
| CAS:13182-89-3 | ChemIDplus |
| Citations |
|---|