Rutaecarpine
RUTECARPINE · Rutacarpine · RHETINE · Rutaecarpine · Rutaccarpine · RUTECARPINE 95+ · Rutaecarpine-RM · Rutaecarpine >Rutaecarpine std.
Identifikatoren & physikalische Daten
| CAS No. | 84-26-4 |
|---|---|
| Summenformel | C18H13N3O |
| Durchschnittliche Molmasse | 287,3 g/mol |
| Monoisotopische Masse | 287,10586205 g/mol |
| SMILES | O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12 |
| InChIKey | ACVGWSKVRYFWRP-UHFFFAOYSA-N |
| PubChem CID | 65752 |
| ChEMBL | CHEMBL85139 |
| ChEBI | CHEBI:8922 |
| EC No. | 635-907-6 |
| DTXSID | DTXSID00232884 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 516 |
| Löslichkeit | very slightlyDMSO: 18 mg/mL clear yellow solution, soluble |
| Siedepunkt | 209.00 °C. @ 760.00 mm Hg429.62°C (rough estimate) |
| Schmelzpunkt | 260 °C259.5-260° |
| Physical Description | Solid |
| Dichte | 1.2030 (rough estimate) |
| Brechungsindex | 1.5855 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 15.79±0.20(Predicted) |
| Farbe | white |
| Merck | 14,8298 |
| InChI | InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2 |
| InChIKey | ACVGWSKVRYFWRP-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(=O)N2CCC3C4=C(NC=3C=12)C=CC=C4 |
| CAS Datenbank | 84-26-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.Not ClassifiedAggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | NM3454000 |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
This alkaloid occurs with Evodiamine (q.v.) in the Chinese drug 'Wou-chou-yu' which is the dried fruit of Evodia rutaecarpa Benth. It crystallizes from boiling EtOH as colourless, or pale yellow, needles and is optically inactive. The acetyl derivative has m.p. 184-6°C and the benzoyl compound, m.p. 194°C. The alkaloid gives a yellow colour with concentrated H2S04 and is decomposed by KOH in boiling amyl alcohol yielding anthranilic acid and 3-{3-aminoethylindole- 2-O!carboxylic acid, CllH120 2N2, silky crystals, m.p. 257°C. Pharmacologically, the alkaloid causes increased arterial pressure on injection.
Verwenden
Rutaecarpine is an indole alkaloid contained in the fruit of Evodiae fruits. It been shown to ameliorate bodyweight gain through orexigenic neuropeptides NPY and AgRP. It also playes a role in the treatment of high blood pressure