HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Levocetirizine N-oxide
(R)-Cetirizine N-Oxide · Levocetetrizine N-Oxide · Levocetirizine Impurity 44 · etirizine N-Oxide (R)-Isomer · (R)-Cetirizine N-Oxide DiHCl · (R)-Cetirizine N-Oxide (>90%) · (R)-Cetirizine N-Oxide DiHydrochloride · Levocetirizine IMpurity: N-Oxide IMpurity
Identifikatoren & physikalische Daten
| CAS No. | 442863-80-1 |
|---|---|
| Summenformel | C21H25ClN2O4 |
| Durchschnittliche Molmasse | 404,9 g/mol |
| Monoisotopische Masse | 404,150285 g/mol |
| SMILES | O=C(O)COCC[N+]1([O-])CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 |
| InChIKey | IVDOUUOLLFEMJQ-OAQYLSRUSA-N |
| PubChem CID | 29975673 |
| EC No. | 642-019-2 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 485 |
| Schmelzpunkt | >114°C (dec.) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 3.27±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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Anwendungen & Verwendung
Verwenden
A metabolite of Cetirizine.