HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Emedastine
Emestine · EMEDASTINE · Emedastine impurity F · Emedastinc Impurity C · Emedastine Impurity C · Emedastine Impurity 14 · Emedastine, 10 mM in DMSO · 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
Identifikatoren & physikalische Daten
| CAS No. | 87233-61-2 |
|---|---|
| Summenformel | C17H26N4O |
| Durchschnittliche Molmasse | 302,4 g/mol |
| Monoisotopische Masse | 302,21066145 g/mol |
| SMILES | CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21 |
| InChIKey | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
| PubChem CID | 3219 |
| ChEMBL | CHEMBL594 |
| ChEBI | CHEBI:4779 |
| DTXSID | DTXSID7048243 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 341 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 2.6 |
| Löslichkeit | Soluble (difumarate formulation)1.44e+00 g/LDMSO: 125 mg/mL (413.35 mM)Ethanol: 100 mg/mL (330.68 mM) |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesEMA approved medicines: Human medicine |
| Physical Description | Solid |
| Siedepunkt | 446.6±55.0 °C(Predicted) |
| Dichte | 1.15±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 8.86±0.10(Predicted) |
| Aggregatzustand | Viscous Liquid |
| Farbe | Yellow to brown |
| CAS Datenbank | 87233-61-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
|---|
Anwendungen & Verwendung
Verwenden
Antihistaminic, H1-receptor; asthma prophylactic; anti-allergic.