HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chlorpromazine sulfoxide
Ba-2835 · opromazine · Oxychlorpromazine · Chlorpromazine-001 · Chlorpromazine-S-oxide · Chlorpromazine sulfoxide · Chlorpromazine EP impurity A · Chlorpromazine Impurity A（EP）
Identifikatoren & physikalische Daten
| CAS No. | 969-99-3 |
|---|---|
| Summenformel | C17H19ClN2OS |
| Durchschnittliche Molmasse | 334,9 g/mol |
| SMILES | CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc21 |
| InChIKey | QEPPAOXKZOTMPM-UHFFFAOYSA-N |
| PubChem CID | 70413 |
| ChEMBL | CHEMBL823 |
| ChEBI | CHEBI:125461 |
| DTXSID | DTXSID40871817 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 406 |
| LogP (Verteilungskoeffizient) | 3.18 |
| Human Drugs | Pharmaceuticals |
| Schmelzpunkt | 115° |
| Siedepunkt | 502.6±50.0 °C(Predicted) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| pKa (Säurekonstante) | pKa 9.0 (Uncertain) |
| Aggregatzustand | solid |
| Farbe | Off-White to Brown |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 |
| InChIKey | QEPPAOXKZOTMPM-UHFFFAOYSA-N |
| SMILES | [S+]1(c2c(cc(cc2)Cl)N(c3c1cccc3)CCCN(C)C)[O-] |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| Toxizität | LD50 s.c. in mice: 102 mg/kg (Minami, Yoshimoto) |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Chlorpromazine Sulfoxide is a derivative of Chlorpromazine Hydrochloride (C424750), which is a dopamine antagonist of the typical antipsychotic class of medications possessing additional antiadrenergic, antiserotonergic, anticholinergic and antihistaminergic properties used for schizophrenia treatment.