mexiletine   Click here for help

GtoPdb Ligand ID: 2629

Synonyms: Mexitil®
Approved drug
mexiletine is an approved drug (FDA (1985))
Compound class: Synthetic organic
Comment: 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).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 35.25
Molecular weight 179.13
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(COc1c(C)cccc1C)N
Isomeric SMILES CC(COc1c(C)cccc1C)N
InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
InChI Key VLPIATFUUWWMKC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name Click here for help
1-(2,6-dimethylphenoxy)propan-2-amine
International Nonproprietary Names Click here for help
INN number INN
3262 mexiletine
Synonyms Click here for help
Mexitil®
Database Links Click here for help
BindingDB Ligand 50117271
CAS Registry No. 31828-71-4 (source: Scifinder)
ChEBI CHEBI:115958
ChEMBL Ligand CHEMBL558
DrugBank Ligand DB00379
DrugCentral Ligand 1794
GtoPdb PubChem SID 135650603
PubChem CID 4178
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Wikipedia Mexiletine