HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fenspirid
DESP · FUBMN24 · FUB-MN24 · Fenspirid · fenspiride · Fenspiridum · Fenspiride-d5 · fenspiride USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 5053-06-5 |
|---|---|
| Summenformel | C15H20N2O2 |
| Durchschnittliche Molmasse | 260,33 g/mol |
| Monoisotopische Masse | 260,15247789 g/mol |
| SMILES | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 |
| InChIKey | FVNFBBAOMBJTST-UHFFFAOYSA-N |
| PubChem CID | 3344 |
| ChEMBL | CHEMBL576127 |
| ChEBI | CHEBI:94558 |
| EC No. | 225-751-3 |
| DTXSID | DTXSID4023048 |
| Lokaler Name | Fenspirid |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 318 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Human Drugs | Pharmaceuticals |
| Schmelzpunkt | 232-233 |
| Collision Cross Section | 150.33 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 126-127 °C(Press: 2 Torr) |
| Dichte | 1.19±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 12.44±0.20(Predicted) |
| Aggregatzustand | Solid:particulate/powder |
| Farbe | White to off-white |
| LogP (Verteilungskoeffizient) | 1.798-1.802 at 20℃ and pH6 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Fenspiride (EC: 225-751-3) |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Bronchodilator;anti-adrenergic (β-receptor).