Dataset
![molecular Image]()
Metronidazole
Chemical Info
| InChI | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
|---|---|
| SMILES | OCCn(c(C)1)c(cn1)[N+1]([O-1])=O |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
| Exact Mass | 171.064 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001391 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:32:21.289700 |
| MetadataModified | 2025-02-09T20:22:42.895259 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL137 | ChEMBL |
| SAM001247010 | NIH Clinical Collection |
| 6909 | ChEBI |
| C07203 | KEGG Ligand |
| 2MN | PDBe |
| 26683761 | PubChem: Drugs of the Future |
| DB00916 | DrugBank |
| METROCREAM | rxnorm |
| METROLOTION | rxnorm |
| VANDAZOLE | rxnorm |
| METRONIDAZOLE | rxnorm |
| METRONIDAZOLE HYDROCHLORIDE | rxnorm |
| NUVESSA | rxnorm |
| METROGEL | rxnorm |
| SATRIC | clinicaltrials |
| FLAGYL | clinicaltrials |
| FLAGYL I.V. | clinicaltrials |
| METRO I.V. | clinicaltrials |
| METROCREAM | clinicaltrials |
| METROGEL | clinicaltrials |
| METROGEL-VAGINAL | clinicaltrials |
| METROLOTION | clinicaltrials |
| METRONIDAZOLE | clinicaltrials |
| METRONIDAZOLE HYDROCHLORIDE | clinicaltrials |
| PROTOSTAT | clinicaltrials |
| NORITATE | clinicaltrials |
| VANDAZOLE | clinicaltrials |
| BAYER 5360 | clinicaltrials |
| BAYER-5360 | clinicaltrials |
| HY-B0318 | MedChemExpress |
| DTXSID2020892 | EPA CompTox Dashboard |
| 1790 | DrugCentral |
| ZINC000000113442 | ZINC |
| MNIMET | CCDC |
| 50375309 | BindingDB |
| 10914 | Guide to Pharmacology |
| METRONIDAZOLE | DailyMed |
| FLAGYL | rxnorm |
| NORITATE | rxnorm |
| metronidazole | DailyMed |
| 125899 | Brenda |
| HMDB0015052 | Human Metabolome Database |
| 37707 | Brenda |
| 125727 | Brenda |
| 5374 | Brenda |
| CB5248430 | ChemicalBook |
| MCULE-6891596695 | Mcule |
| SCHEMBL23042 | SureChEMBL |
| 4173 | PubChem |
| 60058705 | NMRShiftDB |
| PD001853 | ProbesDrugs |
| 140QMO216E | FDA SRS |
| LSM-5628 | LINCS |
| 14748179 | PubChem: Thomson Pharma |
| 99616-64-5 | ACToR |
| PA450484 | PharmGKB |
| Metronidazole(Flagyl) | Selleck |
| 443-48-1 | ACToR |
| 511411 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |