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Metaxalone

CAT: 0013-GTR19163547-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163547-02Size:10 mg
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Description
Metaxalone (marketed by King Pharmaceuticals under the brand name Skelaxin) is a muscle relaxant used to relax muscles and relieve pain caused by strains, sprains, and other musculoskeletal conditions.
CAS Number
1665-48-1
Product Name Alternative
AHR 438 | NSC 170959 | Skelaxin
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Water: 91 mg/L .
Smiles
CC1=CC (=CC (=C1) OCC2CNC (=O) O2) C
Molecular Formula
C12H15NO3
Molecular Weight
221.25
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5-[ (3,5-dimethylphenoxy) methyl]-1,3-oxazolidin-2-one

Chemical Information

Metaxalone

Metaxalone is an aromatic ether.

CAS Number1665-48-1
PubChem CID15459
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
Molecular FormulaC12H15NO3
Molecular Weight221.25
XLogP2.2
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity247
SMILES
CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C
InChI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKey
IMWZZHHPURKASS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metaxalone
CAS: 1665-48-1
CID: 15459
Formula: C12H15NO3
MW: 221.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.25
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass221.10519334
Monoisotopic Mass221.10519334
Topological Polar Surface Area47.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T1610-01Metaxalone
CS-O-06760Metaxalone-d3
HY-B0678R-01Metaxalone (Standard)
T71285Metaxalone-d6

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