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Robenacoxib

CAT: 1299-RM-R232000-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R232000-02Size:25 mg
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CAS Number
220991-32-2
Synonyms
2- (5-ethyl-2- ((2,3,5,6-tetrafluorophenyl) amino) phenyl) acetic acid
Molecular Formula
C16H13F4NO2
Molecular Weight
327.28
Target Alternative Name
Robenacoxib
Product Name Synonym
2- (5-ethyl-2- ((2,3,5,6-tetrafluorophenyl) amino) phenyl) acetic acid

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
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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
HY-118078R-01Robenacoxib (Standard)
AR-R11230-01Robenacoxib Impurity 1
AR-R11233-01N-Nitroso Robenacoxib
AR-R11231-01Robenacoxib Impurity D
AR-R11232-01Robenacoxib Impurity 3

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