(-)-Sophoramine
Sophoramine · SOPHORAMINE96% · 11,12,13,14-Tetradehydromatridin-15-one · Matridin-15-one, 11,12,13,14-tetradehydro- · (4(1)S,7aS,13bS)-2,3,5,6,7,7a,8,13b-octahydro-1H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10(4(1)H)-one · 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, (7aS,13bS,13cS)-
Identifikatoren & physikalische Daten
| CAS No. | 6882-66-2 |
|---|---|
| Summenformel | C15H20N2O |
| Durchschnittliche Molmasse | 244,33 g/mol |
| Monoisotopische Masse | 244,15756327 g/mol |
| SMILES | O=c1cccc2n1C[C@@H]1CCCN3CCC[C@H]2[C@H]13 |
| InChIKey | MMCQRJPAMIHLQX-ZOWXZIJZSA-N |
| PubChem CID | 169014 |
| ChEMBL | CHEMBL3590540 |
| ChEBI | CHEBI:9198 |
| DTXSID | DTXSID00218926 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 440 |
| Schmelzpunkt | 164-5°C |
| Siedepunkt | 455.6±34.0 °C(Predicted) |
| Dichte | 1.22±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.67±0.20(Predicted) |
| NIST chemische Informationen | Sophoramine(6882-66-2) |
Anwendungen & Verwendung
Beschreibung
An alkaloid present in Sophora alopecuroides, the base possesses the tetracyclic structure characteristic of the Sophora alkaloids. It is 1aevorotatory with [α]D - 90.85° or - 98° (EtOH). It yields a series of well crystalline salts and derivatives including the hydrochloride, m.p. 247-8° (dec.); hydriodide, m.p. 294-6°C; aurichloride, m.p. 183-4°C (dec.); p1atinich1oride, m.p. 245-7°C (dec.); picrate, m.p. 229-231°C (dec.) and the picrolonate, m.p. 173-5°C (dec.).
Verwenden
Sophoramine is a quinolizidine alkaloid isolated from traditional Chinese herbal drugssuch as Sophora flavescens Ait. (Kushen), S. alopecuroides L. (Kudouzi or Kugancao) and S. tonkinensis Gapnep (Shandougen).