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N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
OXOTREMORINE M · OXOTREMORINE METHIODIDE · OXOTREMORINE M (OXOTREMORINE METHIOD · Trimethyl[4-(2-oxo-1-pyrrolidinyl)-2-butynyl]aminium · N,N,N-Trimethyl-4-(2-oxopyrrolidin-1-yl)-2-butyn-1-aminium · N,N,N-triMethyl-4-(2-oxopyrrolidin-1-yl)but-2-yn-1-aMiniuM · N,N,N-Trimethyl-4-(2-oxo-1-pyrolidinyl)-2-butyn-1-ammoniumiodide · N,N,N-TRIMETHYL-4-(2-OXO-1-PYRROLIDINYL)-2-BUTYN-1-AMMONIUM IODIDE
Identifikatoren & physikalische Daten
| CAS No. | 63939-65-1 |
|---|---|
| Summenformel | C11H19N2O+ |
| Durchschnittliche Molmasse | 195,28 g/mol |
| Monoisotopische Masse | 195,14973823 g/mol |
| SMILES | C[N+](C)(C)CC#CCN1CCCC1=O |
| InChIKey | CANZROMYQDHYHR-UHFFFAOYSA-N |
| PubChem CID | 4629 |
| ChEMBL | CHEMBL44674 |
| ChEBI | CHEBI:38322 |
| EC No. | 806-326-7 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 1 |
| Komplexität | 277 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | H2O: 24 mg/mLH2O: 24mg/mLethanol: 4.6mg/mL |
| Aggregatzustand | solid |
| Farbe | white |
| InChI | 1S/C11H19N2O.HI/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H31H/q+1/p-1 |
| InChIKey | VVLMSCJCXMBGDI-UHFFFAOYSA-M |
| SMILES | [I-].C[N+](C)(C)CC#CCN1CCCC1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| RTECS-Nr. | ER9552000 |
| R-Sätze (R) | 26/27/28 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-28 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral |
Anwendungen & Verwendung
Verwenden
Oxotremorine M is a small molecule agonist of muscarinic receptors.