Grundinformationen
- CAS
5003-48-5- Standard-SMILES
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1- InChIKey
FEJKLNWAOXSSNR-UHFFFAOYSA-N- Summenformel
- C17H15NO5
- Durchschnittliche Molmasse
- 313,3 g/mol
- Monoisotopische Masse
- 313,09502258
Überblick
Benorilate is a carbonyl compound.
Namen und Bezeichner
- Bevorzugter Name
- Benorylate
- IUPAC
- (4-acetamidophenyl) 2-acetyloxybenzoate
- Lokaler Name
- Benorilat
- Englischer Name
- BENORILATE
- Summenformel
- C17H15NO5
- Molmasse
- 313.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5003-48-5- PubChem CID
- 21102
- DTXSID
DTXSID5022649- ChEMBL
CHEMBL162036- ChEBI
CHEBI:135340- UNII
- W1QX9DV96G
- EC Number
- 225-674-5
- Nikkaji
- J8.794G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 81,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 442
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 177 · 177-181℃
- Siedepunkt
- 453.11 °C · 453.11°C (rough estimate)
- Dichte
- 1.2016 · 1.2016 (rough estimate)
- Brechungsindex
- 1.45 · 1.4500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.17 · 14.17±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White
- Wasserlöslichkeit
- 20 mg/L · 20mg/L(21 ºC)
- Merck
- 14 · 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 · 5003-48-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (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.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2924.29.7790
- RTECS-Nr.
- VO0720000
- Toxizität
- LD50 in mice, rats (mg/ml): 2000, ~10000 orally; 1255, 1830 i.p. (Robertson)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Anwendungen
BeschreibungBenorylate 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.
VerwendenBenorilate is a codrug of Acetylsalicylic Acid (A187780) and Acetaminophen (A161220) and is used as an anti-inflammatory and antipyretic medication.
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