HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-5-nitro-1H-imidazol-1-ethylbenzoat
METRONIDAZOLE BENZOATE · benzoylmetronidazole · benzoylmetronildazole · Metronidazole Impurity 8 · Metronidazole benzoate CRS · METRONIDAZOLEBENZOATE,POWDER · METRONIDAZOLE BENZOATE(BP2002) · Metronidazole Benzoate (100 mg)
Identifikatoren & physikalische Daten
| CAS No. | 13182-89-3 |
|---|---|
| Summenformel | C13H13N3O4 |
| Durchschnittliche Molmasse | 275,264 g/mol |
| Monoisotopische Masse | 275,0906059 g/mol |
| SMILES | Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1 |
| InChIKey | CUUCCLJJOWSASK-UHFFFAOYSA-N |
| PubChem CID | 83213 |
| ChEMBL | CHEMBL1466172 |
| ChEBI | CHEBI:50688 |
| EC No. | 236-131-7 |
| DTXSID | DTXSID60157221 |
| Lokaler Name | 2-Methyl-5-nitro-1H-imidazol-1-ethylbenzoat |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 100 °C |
|---|---|
| Siedepunkt | 487.7±25.0 °C(Predicted) |
| Dichte | 1.31±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Practically insoluble in water, freely soluble in methylene chloride, soluble in acetone, slightly soluble in alcohol. |
| pKa (Säurekonstante) | 2.44±0.34(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Hauptanwendungen | pharmaceuticalpharmaceutical small molecule |
| 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 | N1(CCOC(=O)C2C=CC=CC=2)C(C)=NC=C1[N+]([O-])=O |
| CAS Datenbank | 13182-89-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2933290000 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Benzoylmetronildazole is a new class of antiglycation agents used to treat diabetes mellitus. Benzoylmetronildazole is also a derivative of Metronidazole (M338880), an antibacterial in the treatment o f rosacea.