HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetate
Methyl etodolac · Etodolac impurity K · Etodolac Impurity 11 · Etodolac methyl ester · Etodolac EP Impurity K · EtodolacMethylEster99% · Etodolacmethylester(ETM) · Etoronic acid EP impurity K
Identifikatoren & physikalische Daten
| CAS No. | 122188-02-7 |
|---|---|
| Summenformel | C18H23NO3 |
| Durchschnittliche Molmasse | 301,4 g/mol |
| Monoisotopische Masse | 301,1677936 g/mol |
| SMILES | CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3 |
| InChIKey | CRRWJZHQYUTACF-UHFFFAOYSA-N |
| PubChem CID | 527310 |
| EC No. | 601-924-2 |
| DTXSID | DTXSID60881392 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 413 |
| Siedepunkt | 447.4±40.0 °C(Predicted) |
| Dichte | 1.132±0.06 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 16.82±0.40(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3 |
| InChIKey | CRRWJZHQYUTACF-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2CC)C2CCOC(CC)(CC(OC)=O)C1=2 |
| CAS Datenbank | 122188-02-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21948 |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
Anwendungen & Verwendung
Verwenden
Etodolac derivative