Amfenac
Grundinformationen
- CAS
51579-82-9- Standard-SMILES
Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1- InChIKey
SOYCMDCMZDHQFP-UHFFFAOYSA-N- Summenformel
- C15H13NO3
- Durchschnittliche Molmasse
- 255,27 g/mol
- Monoisotopische Masse
- 255,08954328
Überblick
Amfenac is an oxo monocarboxylic acid that is benzophenone in which one of the phenyl groups is substituted by an amino group and a carboxymethyl group at position 2 and 3, respectively. The corresponding carboxamide, nepafenac, is a prodrug of amfenac and is used for the treatment of pain and inflammation following cataract surgery. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It is a member of benzophenones, an amino acid, an oxo monocarboxylic acid, a substituted aniline and a primary amino compound. It is a conjugate acid of an amfenac(1-).
Namen und Bezeichner
- Bevorzugter Name
- Amfenac
- IUPAC
- 2-(2-amino-3-benzoylphenyl)acetic acid
- Englischer Name
- amfenac
- Summenformel
- C15H13NO3
- Molmasse
- 255.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
51579-82-9- PubChem CID
- 2136
- DTXSID
DTXSID90199533- ChEMBL
CHEMBL25146- ChEBI
CHEBI:75915- UNII
- 28O5C1J38A
- Nikkaji
- J11.225I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 80,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 336
Physikochemische Eigenschaften
- Schmelzpunkt
- 121 · 121-123° (dec)
- Siedepunkt
- 398.5 °C · 398.5°C (rough estimate)
- Dichte
- 1.1654 · 1.1654 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Toxizität
- LD50 in mice, rats (mg/kg): 615, 311 orally (Sancilio)
Chemie und Industrie
Pharmakologische Informationen
Anwendungen
VerwendenAnti-inflammatory.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter13 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An oxo monocarboxylic acid that is benzophenone in which one of the phenyl groups is substituted by an amino group and a carboxymethyl group at position 2 and 3, respectively. The corresponding carboxamide, nepafenac, is a prodrug of amfenac and is used fo the treatment of pain and inflammation following cataract surgery.
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