HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chinuclidin-3-ylacetathydrochlorid
1-azabicyclo(2.2.2)octan-3-ol,acetate(ester),hydrochloride · AceclidineHCl · Aceclidine hydochloride · Aceclidine hydrochloride · 3-acetoxyquinuclidinehydrochloride · ACECLIDINE HYDROCHLORIDE USP/EP/BP · Acetate-3-quinuclidinol Hydrochloride · 3-Quinuclidinol acetate hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 6109-70-2 |
|---|---|
| Summenformel | C9H16ClNO2 |
| Durchschnittliche Molmasse | 205,68 g/mol |
| Monoisotopische Masse | 205,0869564 g/mol |
| SMILES | CC(=O)OC1CN2CCC1CC2.Cl |
| InChIKey | LWWSARSTZGNKGV-UHFFFAOYSA-N |
| PubChem CID | 170367 |
| ChEMBL | CHEMBL4303558 |
| EC No. | 228-071-5 |
| DTXSID | DTXSID30976587 |
| Lokaler Name | Chinuclidin-3-ylacetathydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 29,5 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 185 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 166°C |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | H2O: ≥15mg/mL at ~60°CH2O: ≥15mg/mL at~60°C |
| Aggregatzustand | powder |
| Farbe | white to tan |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3 |
| InChIKey | LWWSARSTZGNKGV-UHFFFAOYNA-N |
| SMILES | C1(OC(=O)C)CN2CC[C@]1([H])CC2.Cl |&1:9,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| Zollcode | 2933998090 |
| RTECS-Nr. | VD6198000 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 DermalAcute Tox. 3 Oral |
Anwendungen & Verwendung
Verwenden
Aceclidine is a synthetic analogue of Arecoline, a natural cholinomimetic alkaloid. Aceclidine acts as an agonist at cholinergic receptors and has therapeutic use to reduce intraocular pressure in glaucoma. A parasympathomimetic drug with weak anticholinesterase activity.