HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Parcetasal
MR 897 · MR 897 Parcetasal · Parcetasal, 10 mM in DMSO · Acetylsalicylic Acid Impurity 32 · Inhibitor,Parcetasal,MR897,inhibit,MR 897 · 2-Methyl-2-[4-(acetylamino)phenoxy]-4H-1,3-benzodioxin-4-one · Acetamide, N-[4-[(2-methyl-4-oxo-4H-1,3-benzodioxin-2-yl)oxy]phenyl]- · N-(4-((2-Methyl-4-oxo-4H-benzo[d][1,3]dioxin-2-yl)oxy)phenyl)acetamide
Identifikatoren & physikalische Daten
| CAS No. | 87549-36-8 |
|---|---|
| Summenformel | C17H15NO5 |
| Durchschnittliche Molmasse | 313,3 g/mol |
| Monoisotopische Masse | 313,09502258 g/mol |
| SMILES | CC(=O)Nc1ccc(OC2(C)OC(=O)c3ccccc3O2)cc1 |
| InChIKey | ZAPRLADYRFPQSH-UHFFFAOYSA-N |
| PubChem CID | 65656 |
| ChEMBL | CHEMBL2105451 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 460 |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | Solid |
| Farbe | White to light yellow |
Anwendungen & Verwendung
Verwenden
Parcetasal is a cyclic ester between Acetylsalicylic Acid (A187780) and Paracetamol (A161220), and by enzymatic hydrolysis it is broken down into acetylsalicylic acid, salicylic acid and paracetamol metabolites.