HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Orciprenalin
orciprenaline · Orciprenaline USP/EP/BP · Epinephrine Impurity 43 · Orciprenaline & Orciprenaline Sulfate · Isoprenaline Hydrochloride Impurity 28 · Metaproterenol (base and/or unspecified salts) · 1-(3,5-dihydroxyphenyl)-2-isopropylaminoethanol · 5-[1-hydroxy-2-(isopropylamino)ethyl]resorcinol
Identifikatoren & physikalische Daten
| CAS No. | 586-06-1 |
|---|---|
| Summenformel | C11H17NO3 |
| Durchschnittliche Molmasse | 211,26 g/mol |
| Monoisotopische Masse | 211,1208434 g/mol |
| SMILES | CC(C)NCC(O)c1cc(O)cc(O)c1 |
| InChIKey | LMOINURANNBYCM-UHFFFAOYSA-N |
| PubChem CID | 4086 |
| ChEMBL | CHEMBL776 |
| ChEBI | CHEBI:6792 |
| EC No. | 209-569-1 |
| DTXSID | DTXSID8048529 |
| Lokaler Name | Orciprenalin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,7 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 177 |
| Arzneimittel | Pharmaceutical |
| LogP (Verteilungskoeffizient) | 1 |
| Löslichkeit | 9.7mg/L6.92e+00 g/L |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Asthmatic AgentsBronchodilator AgentsBeta Adrenergic AgonistsPharmaceuticals |
| Schmelzpunkt | 100 °C100° |
| Physical Description | Solid |
| Collision Cross Section | 144.64 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]149.9 Ų [M+H]+ [CCS Type: TW150.12 Ų [M+H]+ |
| Siedepunkt | 350.94°C (rough estimate) |
| Dichte | 1.1240 (rough estimate) |
| Brechungsindex | 1.5718 (estimate) |
| pKa (Säurekonstante) | 9.11±0.10(Predicted) |
| CAS Datenbank | 586-06-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | 1,3-Benzenediol, 5-1-hydroxy-2-(1-methylethyl)aminoethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Benzenediol, 5-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Drug Induced Liver Injury | Benchmark Dataset for the Liver Toxicity Knowledge Base (LTKB)metaproterenolMedihaler-IsoAdrenergicsNot Applicableno-DILI-concern |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
Anwendungen & Verwendung
Verwenden
Bronchodilator.