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Diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammoniumdihydrogencitrat
HH-197 · Acodeen · Panatus · Sinecod · CoughCut · Sincodin · Sincodix · Sinecond
![Molekülstruktur von Diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammoniumdihydrogencitrat](/img/chemical/28891.png)
Identifikatoren & physikalische Daten
| CAS No. | 18109-81-4 |
|---|---|
| Summenformel | C24H37NO10 |
| Durchschnittliche Molmasse | 499,6 g/mol |
| Monoisotopische Masse | 499,24174638 g/mol |
| SMILES | CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChIKey | JVKMHUAWFDGPTF-UHFFFAOYSA-N |
| PubChem CID | 28891 |
| ChEMBL | CHEMBL2106133 |
| EC No. | 242-006-8 |
| DTXSID | DTXSID0046270 |
| Lokaler Name | Diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammoniumdihydrogencitrat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 171 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 17 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 513 |
| Schmelzpunkt | 66-68°C |
| Lagerbedingungen | Hygroscopic, Refrigerator, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChIKey | JVKMHUAWFDGPTF-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1)C(CC)C(=O)OCCOCCN(CC)CC.C(O)(C(=O)O)(CC(=O)O)CC(=O)O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
Anwendungen & Verwendung
Verwenden
Butamirate Citrate is a novel antitussive drug. It is used for the symptomatic treatment of non-productive (dry) cough.