HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
ECHINATINE · Echinatine sulfate · Echitine · (+)-Echinatine · Echinatine (alkaloid) · Echinatine (Standard) · Echinatine (alkaloid)-RM · (2S,3S)-2,3-Dihydroxy-2-isopropylbutyric acid [(5R,6S)-6-hydroxy-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl
Identifikatoren & physikalische Daten
| CAS No. | 480-83-1 |
|---|---|
| Summenformel | C15H25NO5 |
| Durchschnittliche Molmasse | 299,36 g/mol |
| Monoisotopische Masse | 299,1732729 g/mol |
| SMILES | CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O |
| InChIKey | SFVVQRJOGUKCEG-UHFFFAOYSA-N |
| PubChem CID | 22384 |
| ChEBI | CHEBI:182293 |
| DTXSID | DTXSID60864145 |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,2 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 436 |
| Siedepunkt | 463.3±45.0 °C(Predicted) |
| Dichte | 1.26±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 12.59±0.29(Predicted) |
Anwendungen & Verwendung
Verwenden
(+)-Echinatine is a pyrrolizidine alkaloid found in some medicinal herb preparations such as Asmachilca, which is a Peruvian preparation contributing to bronchodialtion and other protoxic effects. However these alkaloids are generally toxic in regards to human consumption.