mexiletine

Ligand id: 2629

Name: mexiletine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 35.25
Molecular weight 179.13
XLogP 2.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name
1-(2,6-dimethylphenoxy)propan-2-amine
International Nonproprietary Names
INN number INN
3262 mexiletine
Synonyms
Mexitil®
Database Links
BindingDB Ligand 50117271
CAS Registry No. 31828-71-4 (source: Scifinder)
ChEBI CHEBI:115958
ChEMBL Ligand CHEMBL558
DrugBank Ligand DB00379
PubChem CID 4178
Search Google for chemical match using the InChIKey VLPIATFUUWWMKC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VLPIATFUUWWMKC
Search PubMed clinical trials mexiletine
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Search UniChem for chemical match using the InChIKey VLPIATFUUWWMKC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VLPIATFUUWWMKC
Wikipedia Mexiletine
Comments
Approved drug mexiletine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
Marketed formulations may contain mexiletine hydrochloride (PubChem CID 21467).