metaxalone   Click here for help

GtoPdb Ligand ID: 7609

Synonyms: AHR-438 | Skelaxin®
Approved drug
metaxalone is an approved drug (FDA (1962))
Compound class: Synthetic organic
Comment: Metaxalone is a racemic mixture of two enantiomers; R-metaxalone and S-metaxalone. We show the non-stereo structure to represent the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 47.56
Molecular weight 221.11
XLogP 2.31
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NCC(O1)COc1cc(C)cc(c1)C
Isomeric SMILES O=C1NCC(O1)COc1cc(C)cc(c1)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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1962))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1027 metaxalone
Synonyms Click here for help
AHR-438 | Skelaxin®
Database Links Click here for help
CAS Registry No. 665-48-1
ChEMBL Ligand CHEMBL1079604
DrugBank Ligand DB00660
DrugCentral Ligand 1722
GtoPdb PubChem SID 223365944
PubChem CID 15459
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Wikipedia Metaxalone