HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-[2-(Diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazoldiyliumcitrat
Proxazole citrate · Flou · AF-634 · Toness · NSC303872 · NSC-303872 · NSC 303872 · Propaxoline
![Molekülstruktur von 5-[2-(Diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazoldiyliumcitrat](/img/chemical/8589.png)
Identifikatoren & physikalische Daten
| CAS No. | 132-35-4 |
|---|---|
| Summenformel | C23H33N3O8 |
| Durchschnittliche Molmasse | 479,5 g/mol |
| Monoisotopische Masse | 479,22676502 g/mol |
| SMILES | CCC(c1ccccc1)c1noc(CCN(CC)CC)n1.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChIKey | WFAULHLDTDDABL-UHFFFAOYSA-N |
| PubChem CID | 8589 |
| ChEMBL | CHEMBL2104858 |
| ChEBI | CHEBI:32069 |
| EC No. | 205-059-8 |
| DTXSID | DTXSID5048760 |
| Lokaler Name | 5-[2-(Diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazoldiyliumcitrat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 174 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 34 |
| Formalladung | 0 |
| Komplexität | 505 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Toxizität | LD50 in rats (mg/kg): 39 i.p., 60 orally (Silvestrini, Pozzatti) |
Anwendungen & Verwendung
Verwenden
Relaxant (smooth muscle);analgesic; anti-inflammatory.