Preferred Name |
dimethyl fumarate |
|
Synonyms |
dimethyl (2E)-but-2-enedioate Dimethyl trans-ethylenedicarboxylate trans-Butenedioic acid dimethyl ester 1,2-bis(methoxycarbonyl)-trans-ethylene (E)-But-2-enedioic acid dimethyl ester trans-1,2-Ethylenedicarboxylic acid dimethyl ester Fumaric acid, dimethyl ester Tecfidera |
|
Definitions |
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_76004 |
|
charge |
0 |
|
database_cross_reference |
Patent:US2008089861 Wikipedia:Dimethyl_fumarate PMID:23946617 DrugBank:DB08908 PMID:24061646 PMID:24131282 Patent:WO2011100589 KEGG:D03846 HMDB:HMDB0031257 CAS:624-49-7 Drug_Central:4757 Reaxys:774590 |
|
definition |
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. |
|
formula |
C6H8O4 |
|
has_exact_synonym |
dimethyl (2E)-but-2-enedioate |
|
has_functional_parent | ||
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Dimethyl trans-ethylenedicarboxylate trans-Butenedioic acid dimethyl ester 1,2-bis(methoxycarbonyl)-trans-ethylene (E)-But-2-enedioic acid dimethyl ester trans-1,2-Ethylenedicarboxylic acid dimethyl ester Fumaric acid, dimethyl ester Tecfidera |
|
id |
CHEBI:76004 |
|
in_subset | ||
inchi |
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
|
inchikey |
LDCRTTXIJACKKU-ONEGZZNKSA-N |
|
label |
dimethyl fumarate |
|
mass |
144.12530 |
|
monoisotopicmass |
144.04226 |
|
notation |
CHEBI:76004 |
|
prefLabel |
dimethyl fumarate |
|
RO_0000087 | ||
smiles |
COC(=O)\C=C\C(=O)OC |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51702 |