HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cyamemazin
TH-2602 · RP-7204 · Tercian · 7204 RP · CiaMatil · Cianatil · CyaMeMazin · F. I. 6229
Identifikatoren & physikalische Daten
| CAS No. | 3546-03-0 |
|---|---|
| Summenformel | C19H21N3S |
| Durchschnittliche Molmasse | 323,5 g/mol |
| Monoisotopische Masse | 323,14561886 g/mol |
| SMILES | CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21 |
| InChIKey | SLFGIOIONGJGRT-UHFFFAOYSA-N |
| PubChem CID | 62865 |
| ChEMBL | CHEMBL2104153 |
| ChEBI | CHEBI:135379 |
| EC No. | 222-594-2 |
| DTXSID | DTXSID80863190 |
| Lokaler Name | Cyamemazin |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 443 |
| Human Drugs | Pharmaceuticals |
| Schmelzpunkt | 204-20590-95°C |
| Siedepunkt | bp0.2-0.5 205-220° |
| Dichte | 1.21±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO: ≥5mg/mL |
| pKa (Säurekonstante) | 9.31±0.28(Predicted) |
| Aggregatzustand | powder |
| Farbe | light yellow to yellow-green |
| InChI | 1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3 |
| InChIKey | SLFGIOIONGJGRT-UHFFFAOYSA-N |
| SMILES | CC(CN(C)C)CN1c2ccccc2Sc3ccc(cc13)C#N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Cyamemazine (EC: 222-594-2) |
| Hazard Classes and Categories | Aquatic Acute 1 (97.6%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)CyamemazineDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| R-Sätze (R) | 50 |
| Toxizität | LDLo oral in man: 107mg/kg |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Cyamemazine is an anxiolytic antipsychotic, which reduces ethanol withdrawal symptoms.