Firocoxib
Grundinformationen
- CAS
1353853-37-8- Standard-SMILES
CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1- InChIKey
FULAPETWGIGNMT-UHFFFAOYSA-N- Summenformel
- C17H20O5S
- Durchschnittliche Molmasse
- 336,4 g/mol
Überblick
Firocoxib is an enol ether that is the cyclopropylmethyl ether of 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2-one. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in horses and dogs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antineoplastic agent and a cyclooxygenase 2 inhibitor. It is a sulfone, an enol ether, a butenolide and a member of cyclopropanes.
Namen und Bezeichner
- Bevorzugter Name
- Firocoxib
- IUPAC
- 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
- Englischer Name
- Firocoxib-D6
- Summenformel
- C17H20O5S
- Molmasse
- 336.4
Namen und Synonyme
Firocoxib189954-96-9EquioxxPrevicoxLibrens3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-oneML 1785713firocoxibumY6V2W4S4WTML-1,785,713NSC-758895Firocoxib (ema epar: veterinary)
Weitere Namen anzeigen
Firocoxib-D6D6-FirocoxibFirocoxib-(5,5-dimethyl-d6)D6-Firocoxib 100 μg/ml Methanol3-Cyclopropylmethoxy-4-(4-methanesulfonylphenyl)-5,5-dimethyl-d6-5H-furan-2-one
ML-17857132(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-CHEBI:761363-(Cyclopropylmethoxy)-4-(4-methylsulfonylphenyl)-5,5-dimethylfuranone3-(cyclopropylmethoxy)-4-(4-methanesulfonylphenyl)-5,5-dimethyl-2,5-dihydrofuran-2-one2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-oneFirovet
Datenbank-Bezeichner
- CAS
1353853-37-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 78,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 614
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Animal Drugs
EMA approved medicines: Veterinary medicine
EMA approved medicines: Veterinary medicine
EMA approved medicines: Veterinary medicine
EMA approved medicines: Veterinary medicine
EMA approved medicines: Veterinary medicine
Active Ingredients (Firocoxib) -> FDA Greenbook
Collision Cross Section
181.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
182.1 Ų [M+H]+ [CCS Type: TW]
164.97 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H360 (33.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationFirocoxib: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesRepr. 1B (33.3%)
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Pharmakologische Informationen
ATC CodeQM - Musculo-skeletal system
Verwendung und Herstellung
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Zugehörige Reaktionen
0
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