Dimethyl Fumarate
dimethyl (E)-but-2-enedioate
Molecular Identity
Dimethyl Fumarate
dimethyl (E)-but-2-enedioate
PubChem CID: 637568
Dimethyl fumarate is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has a role as an antipsoriatic and an immunomodulator. It is a methyl ester, a diester and an enoate ester. It is functionally related to a methanol and a fumaric acid.
2D Structure
Properties
C6H8O4
Molecular Formula
144.12
Molecular Weight
g/mol
144.0423
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
52.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
141
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C=CC(=O)OCIsomeric SMILES
SMILES: COC(=O)/C=C/C(=O)OCSynonyms(20)
Dimethyl fumarate624-49-7TecfideraFumaric acid dimethyl esterDimethylfumarateFumadermFumaric acid, dimethyl esterBG-12Boletic acid dimethyl esterBG 12 compoundPanaclarDimethyl trans-ethylenedicarboxylateBG-00012dimethyl (2E)-but-2-enedioatetrans-Butenedioic acid dimethyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dimethyl Fumarate
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