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Oxepinac

CAT: 0013-GTR19211834-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211834-02Size:5 mg
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Description
Oxepinac is a well-tolerated small molecule effective in models of painful osteoarthritis. Research applications include in vitro COX inhibition studies and in vivo assessments, where it has shown a lack of teratogenic effects in murine and rabbit models.
CAS Number
55689-65-1
Purity
98.00% (May vary between batches)
Solubility
DMSO:55 mg/mL (205.02 mM)
Smiles
O=C1C=2C (=CC (CC (O) =O) =CC2) OCC=3C1=CC=CC3
Molecular Formula
C16H12O4
Molecular Weight
268.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxepinac

Oxepinac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Oxepinac is a anti-inflammatory agent, ibufenac derivative. Oxepinac has a monoisotopic molecular weight of 268.07 Da.

CAS Number55689-65-1
PubChem CID41531
IUPAC Name2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP2.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity392
SMILES
C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O
InChI
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
InChIKey
PYIHCGFQQSKYBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxepinac
CAS: 55689-65-1
CID: 41531
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.07355886
Monoisotopic Mass268.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity392
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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CatalogName
MBS5810387Oxepinac

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