HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Azatadine
AZATADINE · Azatadine USP/EP/BP · Desloratadine Impurity 25 · 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine · 11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine · 6,11-Dihydro-11-(1-Methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine · 6,11-Dihydro-11-(1-methylpiperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine · 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-Methyl-4-piperidinylidene)-
Identifikatoren & physikalische Daten
| CAS No. | 3964-81-6 |
|---|---|
| Summenformel | C20H22N2 |
| Durchschnittliche Molmasse | 290,4 g/mol |
| Monoisotopische Masse | 290,1782987 g/mol |
| SMILES | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 |
| InChIKey | SEBMTIQKRHYNIT-UHFFFAOYSA-N |
| PubChem CID | 19861 |
| ChEMBL | CHEMBL946 |
| ChEBI | CHEBI:2946 |
| DTXSID | DTXSID6022636 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 16,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 417 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 2.83.59 |
| Löslichkeit | Very soluble1.13e-01 g/LSoluble in DMSO |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesPharmaceuticals |
| Schmelzpunkt | 152-154124-126° |
| Physical Description | Solid |
| Siedepunkt | 450.1±45.0 °C(Predicted) |
| Dichte | 1.127 |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 8.74±0.20(Predicted) |
Sicherheit & Vorschriften
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)azatadineDILI PositiveOralDOI:10.1016/j.drudis.2019.09.022 |
|---|---|
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
Antihistaminic.