loading...| Preferred Name |
dimethyl fumarate |
|
| Synonyms |
dimethyl (2E)-but-2-enedioate trans-Butenedioic acid dimethyl ester trans-1,2-Ethylenedicarboxylic acid dimethyl ester Tecfidera Fumaric acid, dimethyl ester 1,2-bis(methoxycarbonyl)-trans-ethylene (E)-But-2-enedioic acid dimethyl ester Dimethyl trans-ethylenedicarboxylate |
|
| 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 |
PMID:24061646 Wikipedia:Dimethyl_fumarate PMID:23946617 HMDB:HMDB0031257 Patent:US2008089861 CAS:624-49-7 Reaxys:774590 Drug_Central:4757 KEGG:D03846 Patent:WO2011100589 DrugBank:DB08908 PMID:24131282 |
|
| 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_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
trans-Butenedioic acid dimethyl ester trans-1,2-Ethylenedicarboxylic acid dimethyl ester Tecfidera Fumaric acid, dimethyl ester 1,2-bis(methoxycarbonyl)-trans-ethylene (E)-But-2-enedioic acid dimethyl ester Dimethyl trans-ethylenedicarboxylate |
|
| 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 |
|
| smiles |
COC(=O)\C=C\C(=O)OC |
|
| subClassOf |