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Firocoxib 10mg

CAT: 0628-A17245-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A17245-10Size:10 mg
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CAS Number
189954-96-9

Chemical Information

Firocoxib

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.

CAS Number189954-96-9
PubChem CID208910
IUPAC Name3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Molecular FormulaC17H20O5S
Molecular Weight336.4
XLogP2.2
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity614
SMILES
CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
InChI
InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey
FULAPETWGIGNMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Firocoxib
CAS: 189954-96-9
CID: 208910
Formula: C17H20O5S
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass336.10314491
Monoisotopic Mass336.10314491
Topological Polar Surface Area78.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity614
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

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