HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Corydalin
corydalin · Corydalis A · d-Corydaline · CORYDALINE · (13s-e)-thyl · (+) CORYDALINE · Yuanhu extract · Corydaline std.
Identifikatoren & physikalische Daten
| CAS No. | 518-69-4 |
|---|---|
| Summenformel | C22H27NO4 |
| Durchschnittliche Molmasse | 369,5 g/mol |
| Monoisotopische Masse | 369,19400834 g/mol |
| SMILES | COc1cc2c(cc1OC)C1C(C)c3ccc(OC)c(OC)c3CN1CC2 |
| InChIKey | VRSRXLJTYQVOHC-UHFFFAOYSA-N |
| PubChem CID | 326549 |
| DTXSID | DTXSID40975602 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 503 |
| Schmelzpunkt | 135° |
| Siedepunkt | 499.57°C (rough estimate) |
| Dichte | 1.1771 (rough estimate) |
| Brechungsindex | 1.5614 (estimate) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.57±0.40(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1 |
| InChIKey | VRSRXLJTYQVOHC-YEJXKQKISA-N |
| SMILES | C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])[C@@H](C)C2=CC=C(OC)C(OC)=C2C1 |
Sicherheit & Vorschriften
| Zollcode | 2939799090 |
|---|---|
| Toxizität | LD50 in mice (mg/kg): 135.5 ± 12.8 i.v. (Anderson, Chen) |
Anwendungen & Verwendung
Verwenden
Corydaline is a common herbal drug used in Chinese medicine and is touted as an analgesic with reported anti-angiogenic effects.