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Chemical Entities of Biological Interest Ontology
| Preferred Name | teriflunomide | |
| Synonyms |
A 77-1726 teriflunomidum (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide HMR 1726 teriflunomide HMR1726 Aubagio teriflunomida A 771726 (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide |
|
| Definitions |
An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68540 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:22148963 PMID:22229697 PMID:21425264 PMID:22960763 Wikipedia:Teriflunomide PMID:20880295 PMID:21625416 PDBeChem:A26 PMID:22784880 PMID:22398660 PMID:22796174 PMID:22622860 PMID:21367665 PMID:22052286 PMID:22307384 CAS:163451-81-8 PMID:22673950 PMID:22426573 PMID:22012334 PMID:22766059 PMID:22278631 PMID:22052362 KEGG:D10172 PMID:22612746 PMID:21991951 Drug_Central:4634 PMID:22723573 PMID:21349677 Reaxys:6655982 PMID:22965070
|
|
| definition |
An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis.
|
|
| formula |
C12H9F3N2O2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_68542 |
|
| has_exact_synonym |
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
A 77-1726 teriflunomidum (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide HMR 1726 teriflunomide HMR1726 Aubagio teriflunomida A 771726
|
|
| id |
CHEBI:68540
|
|
| in_subset | ||
| inchi |
InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
|
|
| inchikey |
UTNUDOFZCWSZMS-YFHOEESVSA-N
|
|
| label |
teriflunomide
|
|
| mass |
270.20730
|
|
| monoisotopicmass |
270.06161
|
|
| notation |
CHEBI:68540
|
|
| prefLabel |
teriflunomide
|
|
| smiles |
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_33823 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_33823 |
| Delete | Subject | Author | Type | Created |
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