HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
ID 690
5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one · ID 690 · Ro-5-4082 · Ro 05-4082, · MethylclonazpaM · Methyl clonazepam · N-Methylclonazepam · Benzodiazepines Intermediate 3
Identifikatoren & physikalische Daten
| CAS No. | 5527-71-9 |
|---|---|
| Summenformel | C16H12ClN3O3 |
| Durchschnittliche Molmasse | 329,74 g/mol |
| Monoisotopische Masse | 329,05671892 g/mol |
| SMILES | CN1C(=O)CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21 |
| InChIKey | AZVBJJDUDXZLTM-UHFFFAOYSA-N |
| PubChem CID | 528222 |
| ChEMBL | CHEMBL269232 |
| EC No. | 642-314-6 |
| DTXSID | DTXSID60203777 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 519 |
| Arzneimittel | DEA NFLIS-Drug Category -> Benzodiazepines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 194-195°C |
| Siedepunkt | 566.7±50.0 °C(Predicted) |
| Dichte | 1.42±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Controlled Substance, -20°C Freezer |
| Löslichkeit | DMF: 25 mg/mlDMSO: 25 mg/mlDMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 1.55±0.25(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|
Anwendungen & Verwendung
Verwenden
Shows sedative and anxiolytic properties. Impairment of psychomotor performance reported. Activity blocked by flumazenil.