Metaxalone

CAT: 0127-BUP15724-02Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP15724-02Size:500 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1665-48-1

Synonyms

Skelaxin, Methaxalonum, Zorane, NSC170959, AHR438

Purity

=98%

Smiles

CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1

Chemical Information

Metaxalone

Metaxalone is an aromatic ether.

CAS Number	1665-48-1
PubChem CID	15459
IUPAC Name	5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
Molecular Formula	C12H15NO3
Molecular Weight	221.25
XLogP	2.2
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	247

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

CAS: 1665-48-1

CID: 15459

Formula: C12H15NO3

MW: 221.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.25
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	221.10519334
Monoisotopic Mass	221.10519334
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes