Ajmalin
5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-17,21-diol deriv. · Ritmos · Ajmalin · Ignazin · Takycor · AJMALINE · Aritmina · Rytmalin
Identifikatoren & physikalische Daten
| CAS No. | 4360-12-7 |
|---|---|
| Summenformel | C20H26N2O2 |
| Durchschnittliche Molmasse | 326,4 g/mol |
| Monoisotopische Masse | 326,19942808 g/mol |
| SMILES | CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O |
| InChIKey | CJDRUOGAGYHKKD-OVXZWHIBSA-N |
| PubChem CID | 3000261 |
| ChEMBL | CHEMBL5314404 |
| Lokaler Name | Ajmalin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 570 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 189°C |
| Siedepunkt | 464.47°C (rough estimate) |
| Dichte | 1.1117 (rough estimate) |
| Brechungsindex | 1.6800 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly)489.7mg/L(30 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pKa 8.2 (Uncertain) |
| Farbe | White |
| Merck | 13,194 |
| LogP (Verteilungskoeffizient) | 1.810 |
Sicherheit & Vorschriften
| UN-Transportnummer | 1544 |
|---|---|
| RTECS-Nr. | AX8050000 |
| R-Sätze (R) | 25-20/21/22 |
| Toxizität | LD50 oral in rat: 360mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 13-45-36 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Beschreibung
Rauwolfia (Luo Fu Mu) is derived from the plants Rauvolfia verticillata (Lour.) Baill. and R. yunnanensis Tsiang, and the root is usually used as its medicinal part. R. verticillata (Lour.) Baill. var. hainanensis Tsiang and R. vomitoria Afzel. ex Spreng have been also used as traditional Chinese herb. Rauwolfia is one of the important traditional herbs in southern China. Its scope of treatment includes cold, fever, sore throat, headache, and dizziness caused by hypertension, abdominal pain and diarrhea, scabies, and so on. Rauwolfia is also used to treat insomniac dizziness, bruises, sprains, and venomous snake bites in folk. In the “Flora of China,” 135 species of Rauwolfia were recorded, mostly distributed in the tropics and subtropics, a few in the temperate regions. There are nine species, four varieties, and three cultivated species in China.
History
Since 1930s, abundant studies have been focused on the Rauwolfia plants. So far, a total of 91 alkaloids were separated from Rauwolfia, and the identification of the chemical structures was obtained, including 2 non-indole alkaloids (thebaine and papaverine) and 89 indole alkaloids . In accordance with the basic framework, indole alkaloids can be divided into seven classes, such as the ajmaline class, the
Verwenden
An antiarrhythmic agent isolated from Rauwolfia serpentina.