dimethyl fumarate

Ligand id: 7045

Name: dimethyl fumarate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 144.04
XLogP 0.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2013))
Is prodrug? Yes
Active form monomethylfumarate
IUPAC Name
dimethyl (E)-but-2-enedioate
Synonyms
BG-12 | fumaric acid | Tecfidera®
Database Links
CAS Registry No. 624-49-7
ChEMBL Ligand CHEMBL2107333
DrugBank Ligand DB08908
GtoPdb PubChem SID 178103624
PubChem CID 637568
Search Google for chemical match using the InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
Search Google for chemicals with the same backbone LDCRTTXIJACKKU
Search UniChem for chemical match using the InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
Search UniChem for chemicals with the same backbone LDCRTTXIJACKKU
Wikipedia Dimethyl_fumarate
Comments
The active metabolite of dimethyl fumarate is monomethylfumarate.