HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Sertraline, cis-(-)-
Sertindole-d4 · (R,R)-Sertraline · Sertraline HCI RC 1 · (1R,4R)-Sertraline HCl · Sertraline Impurity-G (1R,4R Isomer) · Sertraline Impurity 7 Monomer(Sertraline EP Impurity G Monomer) · 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1R,4R)- · (1R,4R)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (sertraline enantiomer)
Identifikatoren & physikalische Daten
| CAS No. | 79617-95-1 |
|---|---|
| Summenformel | C17H17Cl2N |
| Durchschnittliche Molmasse | 306,2 g/mol |
| Monoisotopische Masse | 305,0738049 g/mol |
| SMILES | CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 |
| InChIKey | VGKDLMBJGBXTGI-SJKOYZFVSA-N |
| PubChem CID | 54375 |
| ChEMBL | CHEMBL252744 |
| EC No. | 189-813-0 |
| DTXSID | DTXSID401036448 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 322 |
| Löslichkeit | 28.8 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Methanol (Slightly) |
| Schmelzpunkt | 243-245 °C |
| Siedepunkt | 416.3±45.0 °C(Predicted) |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.47±0.40(Predicted) |
| Farbe | Pale Yellow to Yellow |
Anwendungen & Verwendung
Verwenden
(rac,rac)-4-Sertraline acts as a selective serotonin reuptake inhibitor that displays minor antifungal activity as well.