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Ethyl (8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
RAK 701 · 8-Methyl Etodolac · Etodolac Impurity 2 · Etodolac EP Impurity B · Etoronic acid EP Impurity B · 2-[(1RS)-1-Ethyl-8-methyl-1,3,4,9-t · Etodolac EP Impurity B (8-Methyl Etodolac) · Etodolac Impurity 2 （Etodolac EP Impurity B)
![Molekülstruktur von Ethyl (8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate](/img/chemical/198230.png)
Identifikatoren & physikalische Daten
| CAS No. | 41340-19-6 |
|---|---|
| Summenformel | C16H19NO3 |
| Durchschnittliche Molmasse | 273,33 g/mol |
| Monoisotopische Masse | 273,13649347 g/mol |
| SMILES | CCOC(=O)CC1OCCc2c1[nH]c1c(C)cccc21 |
| InChIKey | KAQBLWDALHVJDR-UHFFFAOYSA-N |
| PubChem CID | 198230 |
| DTXSID | DTXSID50961632 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 360 |
| Schmelzpunkt | 160-161℃ |
| Siedepunkt | 495.4±40.0 °C(Predicted) |
| Dichte | 1.219±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.31±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Anwendungen & Verwendung
Verwenden
8-Methyl Etodolac is an impurity of Etodolac (E933100) which was examined for mutagenicity in reverse mutation tests on bacteria. Etodolac impurity B.