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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | dofetilide | |
| Synonyms |
dofetilidum dofetilide beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide Tikosyn dofetilida Dofetilide N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide |
|
| Definitions |
A tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4681 |
|
| alternative label |
dofetilidum dofetilide beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide Tikosyn dofetilida Dofetilide N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00647 Reaxys:3572833 DrugBank:DB00204 PMID:25626340 PMID:25620152 CAS:115256-11-6 PMID:11326815 Patent:EP245997 Patent:US4959366 Drug_Central:942 KEGG:C07751 Wikipedia:Dofetilide LINCS:LSM-5925
|
|
| definition |
A tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug.
|
|
| formula |
C19H27N3O5S2
|
|
| has characteristic | ||
| has exact synonym |
Dofetilide N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide
|
|
| has role | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
dofetilidum dofetilide beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide Tikosyn dofetilida
|
|
| id |
CHEBI:4681
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
|
|
| inchikey |
IXTMWRCNAAVVAI-UHFFFAOYSA-N
|
|
| label |
dofetilide
|
|
| mass |
441.56500
|
|
| monoisotopicmass |
441.13921
|
|
| notation |
CHEBI:4681
|
|
| note |
A tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug.
|
|
| preferred label |
dofetilide
|
|
| prefLabel |
dofetilide
|
|
| smiles |
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 |
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