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Oxprenolol
Coretal · Tevacor · Oxenalol · Aids001596 · Aids-001596 · dl-Oxprenolol · Oxprenolol-d7 · oxprenolol USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 6452-71-7 |
|---|---|
| Summenformel | C15H23NO3 |
| Durchschnittliche Molmasse | 265,35 g/mol |
| Monoisotopische Masse | 265,1677936 g/mol |
| SMILES | C=CCOc1ccccc1OCC(O)CNC(C)C |
| InChIKey | CEMAWMOMDPGJMB-UHFFFAOYSA-N |
| PubChem CID | 4631 |
| ChEMBL | CHEMBL546 |
| ChEBI | CHEBI:91704 |
| EC No. | 229-257-9 |
| DTXSID | DTXSID1043835 |
| Lokaler Name | Oxprenolol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 246 |
| LogP (Verteilungskoeffizient) | 2.12.10 |
| Löslichkeit | 6.80e-01 g/LDichloromethane (Slightly), Methanol (Slightly) |
| Caco2 Permeability | -4.68 |
| Physical Description | Solid |
| Dissociation Constants | 9.57 |
| Kovats Retention Index | 19271925191018701904.61917.61918.7 |
| Collision Cross Section | 161.7 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Schmelzpunkt | 78-80° |
| Siedepunkt | 408.57°C (rough estimate) |
| Dichte | 1.0479 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.89±0.20(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Stable under recommended storage conditions., Stable Under Recommended Storage C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 2-Propanol, 1-(1-methylethyl)amino-3-2-(2-propenyloxy)phenoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Allergic contact dermatitis reported in a pharmaceutical worker[Kanerva, p. 1822] See Propranolol. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
Anwendungen & Verwendung
Beschreibung
Oxprenolol induced contact dermatitis in a worker at a pharmaceutical plant, in the division for drug synthesis. Epichlorhydrin was also used for the production of both propranolol and oxprenolol.
Verwenden
Oxprenolol is a free base of Oxprenolol Hydrochloride(O870500) which is a β-Adrenergic blocker. Antihypertensive, antianginal, antiarrhythmic.