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Isonixin

CAT: 0931-T27633-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27633-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57021-61-1
Target
Others, COX
Related Pathways
Neuroscience, Others, Immunology/Inflammation
Bioactivity
Isonixin is used for the treatment of inflammation and pain associated with musculoskeletal and joint disorders.
Smiles
N(C(=O)C=1C(=O)NC=CC1)C2=C(C)C=CC=C2C
Molecular Formula
C14H14N2O2
Molecular Weight
242.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isonixin

Isonixin is an aromatic amide.

CAS Number57021-61-1
PubChem CID68767
IUPAC NameN-(2,6-dimethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
Molecular FormulaC14H14N2O2
Molecular Weight242.27
XLogP2
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity402
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CNC2=O
InChI
InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-14(18)11-7-4-8-15-13(11)17/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKey
WJDDCFNFNAHLAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isonixin
CAS: 57021-61-1
CID: 68767
Formula: C14H14N2O2
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass242.105527694
Monoisotopic Mass242.105527694
Topological Polar Surface Area58.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity402
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
HY-105579Isonixin

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