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Robenacoxib

CAT: 0931-T26109-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26109-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220991-32-2
Target
COX
Related Pathways
Immunology/Inflammation, Neuroscience
Purity
0.9926
Bioactivity
Robenacoxib (Onsior) is a non-steroidal compound with strong selectivity for cyclooxygenase-2 and anti-inflammatory activity.
Smiles
N(C1=C(CC(O)=O)C=C(CC)C=C1)C2=C(F)C(F)=CC(F)=C2F
Molecular Formula
C16H13F4NO2
Molecular Weight
327.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Robenacoxib

Robenacoxib is an aromatic amino acid that is 2-amino-5-ethylphenylacetic acid in which one of the amino hydrogens is replaced by a 2,3,5,6-tetrafluorophenyl group. A selective cyclooxygenase 2 inhibitor that is used in veterinary medicine for the relief of pain and inflammation in cats and dogs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a monocarboxylic acid, a member of phenylacetic acids, an aromatic amino acid, an organofluorine compound and a secondary amino compound.

CAS Number220991-32-2
PubChem CID6433107
IUPAC Name2-[5-ethyl-2-(2,3,5,6-tetrafluoroanilino)phenyl]acetic acid
Molecular FormulaC16H13F4NO2
Molecular Weight327.27
XLogP4.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
CCC1=CC(=C(C=C1)NC2=C(C(=CC(=C2F)F)F)F)CC(=O)O
InChI
InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)
InChIKey
ZEXGDYFACFXQPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Robenacoxib
CAS: 220991-32-2
CID: 6433107
Formula: C16H13F4NO2
MW: 327.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.27
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass327.08824131
Monoisotopic Mass327.08824131
Topological Polar Surface Area49.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
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
FR101964-01Robenacoxib
AR-R11229-01Robenacoxib-d5
BA5941-1Robenacoxib (Standard)
AR-R11230-01Robenacoxib Impurity 1
AR-R11233-01N-Nitroso Robenacoxib
AR-R11231-01Robenacoxib Impurity D

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