HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Loratadine ketone
loratadine ketone · DESLORATADINE METHANONE IMPURITY (FREE BASE) · 1-(METHYL-4-PIPERIDINYL) [3(2)-(3-CHLOROPHENYL) ETHYL 2-PYRI... · (3-(3-chlorophenethyl)pyridin-2-yl)(1-Methylpiperidin-4-yl)Methanone · (1-methyl-4-piperidinyl-3-[2-(3-chlorophinyl)-ethyl]Methanone Hydrochloride · 1-(METHYL-4-PIPERIDINYL) [3(2)-(3-CHLOROPHENYL) ETHYL 2-PYRIDINYL] METHANONE · Methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)- · {3-[2-(3-Chlorophenyl)-Ethyl]-2-Pyridinyl}-(1-Methyl-4-Piperidinyl)-Methanone
Identifikatoren & physikalische Daten
| CAS No. | 130642-50-1 |
|---|---|
| Summenformel | C20H23ClN2O |
| Durchschnittliche Molmasse | 342,9 g/mol |
| Monoisotopische Masse | 342,1498911 g/mol |
| SMILES | CN1CCC(C(=O)c2ncccc2CCc2cccc(Cl)c2)CC1 |
| InChIKey | YBWTYYOASANXND-UHFFFAOYSA-N |
| PubChem CID | 9967913 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 408 |
| Schmelzpunkt | 179-186°C |
| Siedepunkt | 462.0±45.0 °C(Predicted) |
| Dichte | 1.169±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 8.18±0.10(Predicted) |
| InChI | InChI=1S/C20H23ClN2O/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15/h2-6,11,14,17H,7-10,12-13H2,1H3 |
| InChIKey | YBWTYYOASANXND-UHFFFAOYSA-N |
| SMILES | C(C1=NC=CC=C1CCC1=CC=CC(Cl)=C1)(C1CCN(C)CC1)=O |
| CAS Datenbank | 130642-50-1(CAS DataBase Reference) |
Anwendungen & Verwendung
Verwenden
[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone is an impurity of Loratadine (L469575), a nonsedating-type histamine H1-receptor.