HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dropropizin
ribex · katril · larylin · catabex · UCB-196 · ditustat · tussilex · gevotuss
Identifikatoren & physikalische Daten
| CAS No. | 17692-31-8 |
|---|---|
| Summenformel | C13H20N2O2 |
| Durchschnittliche Molmasse | 236,31 g/mol |
| Monoisotopische Masse | 236,15247788 g/mol |
| SMILES | OCC(O)CN1CCN(c2ccccc2)CC1 |
| InChIKey | PTVWPYVOOKLBCG-UHFFFAOYSA-N |
| PubChem CID | 3169 |
| ChEMBL | CHEMBL151445 |
| ChEBI | CHEBI:93837 |
| EC No. | 241-683-7 |
| DTXSID | DTXSID0045624 |
| Lokaler Name | Dropropizin |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 211 |
| Arzneimittel | Pharmaceuticals |
| LogP (Verteilungskoeffizient) | 0.84 |
| Löslichkeit | >35.4 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Sparingly), Methanol (Slightly) |
| Collision Cross Section | 155.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]158.03 Ų [M+K]+ [CCS Type: TW |
| Schmelzpunkt | 105° (Morren)mp 108° (Bourdais) |
| Siedepunkt | 205 °C(Press: 1 Torr) |
| Dichte | 1.168±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.21±0.20(Predicted) |
| Farbe | White to Off-White |
| CAS Datenbank | 17692-31-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | TZ1074800 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 in rats (mg/kg): 200 i.v., 750 orally (Morren) |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
Anwendungen & Verwendung
Verwenden
Dropropizine is a cough suppressant and central sedative therapeutic agent.