Cimicoxib
4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Molecular Identity
Cimicoxib
4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID: 213053
Cimicoxib is an imidazole substituted at positions 1, 4 and 5 by 4-aminosulfonylphenyl, chloro and 3-fluoro-4-methyoxyphenyl groups respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs. It has a role as a non-steroidal anti-inflammatory drug and a cyclooxygenase 2 inhibitor. It is a member of imidazoles, a sulfonamide, an aromatic ether, an organochlorine compound and an organofluorine compound.
2D Structure
Properties
C16H13ClFN3O3S
Molecular Formula
381.80
Molecular Weight
g/mol
381.0350
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
95.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
553
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Cimicoxib265114-23-6CimalgexUR-88804-(4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)benzenesulfonamideW7FHJ107MC4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamideCimicoxib (ema epar: veterinary)CHEBI:76127DTXSID30181093cimicoxibum4-(4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)benzene-1-sulfonamide4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzene-1-sulfonamideRefChem:126164DTXCID40103584
Data from PubChem (NCBI)
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