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Arecolinhydrobromid
Argatroban Anhydrous · METHYL 1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE HYDROBROMIDE · ArecoL · arecane · Taeniolin · ARECOLINE HBR · Arecoline hydr · arecolinebromide
Identifikatoren & physikalische Daten
| CAS No. | 300-08-3 |
|---|---|
| Summenformel | C8H14BrNO2 |
| Durchschnittliche Molmasse | 236,11 g/mol |
| Monoisotopische Masse | 235,02079079 g/mol |
| SMILES | Br.COC(=O)C1=CCCN(C)C1 |
| InChIKey | AXOJRQLKMVSHHZ-UHFFFAOYSA-N |
| PubChem CID | 9301 |
| ChEMBL | CHEMBL449209 |
| ChEBI | CHEBI:233150 |
| EC No. | 206-087-3 |
| DTXSID | DTXSID9075379 |
| Lokaler Name | Arecolinhydrobromid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 29,5 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 187 |
| Löslichkeit | >35.4 [ug/mL] (The mean of the results at pH 7.4)H2O: 0.1 g/mL, clear, colorless |
| Schmelzpunkt | 171-175 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 6.84(at 25℃) |
| Farbe | White to light yellow |
| Merck | 14,778 |
| BRN | 3914826 |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions are not stable – make fresh daily. |
| Hauptanwendungen | clinicalfood and beverages |
| InChI | InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H31H |
| InChIKey | AXOJRQLKMVSHHZ-UHFFFAOYSA-N |
| SMILES | C1(C(=O)OC)=CCCN(C)C1.Br |
| CAS Datenbank | 300-08-3(CAS DataBase Reference) |
| EPA chemische Informationen | Arecoline hydrobromide (300-08-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | ARECOLINIUM BROMIDE: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (95.8%) |
| Gesundheitliche Auswirkungen | Pupillary constriction, bronchial constriction. |
| Expositionspfade | Ingestion |
| Toxizitätsübersicht | Arecoline is the primary active ingredient responsible for the central nervous system effects of the areca nut. Arecoline has been compared to nicotinehowever, nicotine acts primarily on the nicotinic acetylcholine receptor. Arecoline is known to be a partial agonist of muscarinic acetylcholine M1, M2, M3 receptors and M4, which is believed to be the primary cause of its parasympathetic effects (such as pupillary constriction, bronchial constriction, etc.). (Wikipedia) Arecoline is cytotoxic to human gingival fibroblasts at a concentration higher than 50 μg/ml by depleting intracellular thiols and inhibiting mitochondrial activity (P<0.05). In addition, the cells displayed a marked arrest at G2/M phase in a dose-dependent manner. (A15351) |
| Carcinogen Classification | Not listed by IARC. |
| Toxicity Data | LD50: 100 mg/kg, administered subcutaneously in mouse (Wikipedia) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1544 |
| Zollcode | 29399990 |
| RTECS-Nr. | QT2275000 |
| R-Sätze (R) | 22-23/24/25 |
| Toxizität | LD50 par-rat: 270 mg/kg ABMGAJ 28,681,72 |
| Gefahrensymbole | Xn,T |
| Sicherheitshinweise (S) | 45-38-36/37/39-28A |
| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Arecoline is a muscarinic acetylcholine receptor agonist. Arecoline induces ADP ribosylation of histones and chromatid relaxation in spleen and bone marrow cells. In a study, a controlled trial involving 122 dogs experimentally infected with Echinococcus