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Cimicoxib

CAT: 1410-M27969-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M27969-02Size:5 mg
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Description
Cimicoxib is a potent and selective inhibitor of COX-2 with anti-inflammatory and analgesic activity.
CAS Number
265114-23-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
381.81
Molecular Formula
C16H13ClFN3O3S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cimicoxib

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.

CAS Number265114-23-6
PubChem CID213053
IUPAC Name4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.8
XLogP2.9
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity553
SMILES
COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F
InChI
InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKey
KYXDNECMRLFQMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cimicoxib
CAS: 265114-23-6
CID: 213053
Formula: C16H13ClFN3O3S
MW: 381.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.8
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass381.0350183
Monoisotopic Mass381.0350183
Topological Polar Surface Area95.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30937-01Cimicoxib
HY-100516RCimicoxib (Standard)
TRC-B807078-500MGN-tert-Butyl Cimicoxib
TRC-D226753-1GDechloro N-tert-Butyl Cimicoxib

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