| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | A355C835XC |
| Parent Compound: | METRONIDAZOLE |
Structure
| InChI Key | CUUCCLJJOWSASK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.26 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 87.26 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Periodontitis | 2 | D010518 | ClinicalTrials |
| Bacterial Infections | 1 | D001424 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 50688 |
| ChEMBL | CHEMBL1466172 |
| DrugBank | DB15759 |
| EPA CompTox | DTXSID60157221 |
| FDA SRS | A355C835XC |
| PubChem | 83213 |
| SureChEMBL | SCHEMBL366213 |
| ZINC | ZINC000000163922 |
CONTENTS