HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Benzoyl-2-oxindole
7-Benzoyl-1,3-dihydro-2H-indol-2-one · 7-Benzoyl-2-indolinone · Nepafenac Related Compound B · AMfenac LactaM · 7-Benzoyloxindole · 7-benzoyl-2-oxindole · Nepafenac Impurity 13 · 7-Benzoylindolin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 51135-38-7 |
|---|---|
| Summenformel | C15H11NO2 |
| Durchschnittliche Molmasse | 237,25 g/mol |
| Monoisotopische Masse | 237,07897859 g/mol |
| SMILES | O=C1Cc2cccc(C(=O)c3ccccc3)c2N1 |
| InChIKey | APGQYYFHBPQPTL-UHFFFAOYSA-N |
| PubChem CID | 170983 |
| ChEMBL | CHEMBL75312 |
| EC No. | 675-865-6 |
| DTXSID | DTXSID80199163 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 346 |
| Schmelzpunkt | 154℃ |
| Siedepunkt | 501.7±50.0 °C(Predicted) |
| Dichte | 1.254±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.42±0.20(Predicted) |
| Farbe | Pale Brown to Brown |
| Hauptanwendungen | pharmaceutical (small molecules) |
| InChI | InChI=1S/C15H11NO2/c17-13-9-11-7-4-8-12(14(11)16-13)15(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17) |
| InChIKey | APGQYYFHBPQPTL-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2C(=O)C2=CC=CC=C2)CC1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-Benzoyloxindole is an indole derivative with antiinflammatory activity. It is also a metabolite of amfenac (A576500).