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®
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).
Database Links
BindingDB Ligand 50117271
CAS Registry No. 31828-71-4 (source: Scifinder)
ChEBI CHEBI:115958
ChEMBL Ligand CHEMBL558
DrugBank Ligand DB00379
GtoPdb PubChem SID 135650603
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