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Aspidospermidin-3-carbonsure, 2,3,6,7-Tetradehydro-, Methylester, (5α,12β,19α)-
W 873 · W-873 · C09244 · Tabuning · tabersonin · abersonine · It's Bonin · TABERSONINE
Identifikatoren & physikalische Daten
| CAS No. | 4429-63-4 |
|---|---|
| Summenformel | C21H24N2O2 |
| Durchschnittliche Molmasse | 336,4 g/mol |
| Monoisotopische Masse | 336,18377801 g/mol |
| SMILES | CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 |
| InChIKey | FNGGIPWAZSFKCN-ACRUOGEOSA-N |
| PubChem CID | 20485 |
| ChEMBL | CHEMBL2011511 |
| ChEBI | CHEBI:16776 |
| EC No. | 224-615-0 |
| DTXSID | DTXSID30196102 |
| Lokaler Name | Aspidospermidin-3-carbonsure, 2,3,6,7-Tetradehydro-, Methylester, (5α,12β,19α)- |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 669 |
| Schmelzpunkt | 196 °C |
| Siedepunkt | 488.7±45.0 °C(Predicted) |
| Dichte | 1.27±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Ethanol (Slightly, Sonicated), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7+-.0.60(Predicted) |
| Farbe | Light Yellow to Dark Yellow |
| Stabilität | Light Sensitive |
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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
This alkaloid, found in Amsonia tabernaemontana, is difficult to obtain crystalline but the hydrochloride is readily crystallizable and has m.p. 195-6°C; [α]D - 310° (c 0.134, MeOH).
Occurrence
The seeds of Amsonia elliptica contain this N-oxide at tabersonine.
Verwenden
(-)-Tabersonine is one of the terpenoid indole alkaloids (TIAs) from Catharanthus roseus. (-)-Tabersonine shows hypotensive activity, anti-tumor activity, hypoglycemic, diuretic activity.