HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benorilat
benorilato · BENORYLATE · to125 · benoral · salipran · benortan · win11450 · Benno fat
Identifikatoren & physikalische Daten
| CAS No. | 5003-48-5 |
|---|---|
| Summenformel | C17H15NO5 |
| Durchschnittliche Molmasse | 313,3 g/mol |
| Monoisotopische Masse | 313,09502258 g/mol |
| SMILES | CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1 |
| InChIKey | FEJKLNWAOXSSNR-UHFFFAOYSA-N |
| PubChem CID | 21102 |
| ChEMBL | CHEMBL162036 |
| ChEBI | CHEBI:135340 |
| EC No. | 225-674-5 |
| DTXSID | DTXSID5022649 |
| Lokaler Name | Benorilat |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 442 |
| LogP (Verteilungskoeffizient) | 2.15 |
| Schmelzpunkt | 177-181℃ |
| Siedepunkt | 453.11°C (rough estimate) |
| Dichte | 1.2016 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)20mg/L(21 ºC) |
| pKa (Säurekonstante) | 14.17±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| Merck | 14,1045 |
| InChI | InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19) |
| InChIKey | FEJKLNWAOXSSNR-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(NC(C)=O)C=C1)(=O)C1=CC=CC=C1OC(C)=O |
| CAS Datenbank | 5003-48-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, 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 | Acute Tox. 4 (50%) |
| Zollcode | 2924.29.7790 |
| RTECS-Nr. | VO0720000 |
| Toxizität | LD50 in mice, rats (mg/ml): 2000, ~10000 orally1255, 1830 i.p. (Robertson) |
Anwendungen & Verwendung
Beschreibung
Benorylate is the acetaminophen ester of acetylsalicylic acid, designed to provide a less irritating form of aspirin. Gastrointestinal blood loss in patients taking benorylate is less than that during therapy with soluble aspirin. Benorylate has been found to be as effective as aspirin for the treatment of chronic rheumatic disorders.
Verwenden
Benorilate is a codrug of Acetylsalicylic Acid (A187780) and Acetaminophen (A161220) and is used as an anti-inflammatory and antipyretic medication.