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CHEBI:64359 - sumatriptan succinate

ChEBI IDCHEBI:64359
ChEBI Namesumatriptan succinate
Stars
DefinitionA succinate salt obtained by reaction of sumatriptan with one equivalent of succinic acid. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used for the acute treatment of migraine with or without aura in adults.
Secondary ChEBI IDCHEBI:9357
Last Modified10 August 2016
DownloadsMolfile
FormulaC14H21N3O2S.C4H6O4
Net Charge0
Average Mass413.496
Monoisotopic Mass413.16206
SMILESCNS(=O)(=O)Cc1ccc2ncc(CCN(C)C)c2c1.O=C(O)CCC(=O)O
InChIInChI=1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyPORMUFZNYQJOEI-UHFFFAOYSA-N
Roles Classification
Biological Role:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
Applications:
serotonergic agonist  An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
sumatriptan succinate (CHEBI:64359) has part sumatriptan(1+) (CHEBI:64364)
sumatriptan succinate (CHEBI:64359) has role serotonergic agonist (CHEBI:35941)
sumatriptan succinate (CHEBI:64359) has role vasoconstrictor agent (CHEBI:50514)
sumatriptan succinate (CHEBI:64359) is a succinate salt (CHEBI:51381)
IUPAC Name 
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide butanedioate
Synonyms  Source
3-(2-(Dimethylamino)ethyl)-N-methylindole-5-methanesulfonamide succinateChemIDplus
N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium 3-carboxypropanoateIUPAC
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide succinateChEBI
sumatriptan hydrogen succinateChEBI
Brand Names  Source
ImitrexDrugBank
ONZETRA XsailChEBI
Manual XrefsDatabases
D00676KEGG DRUG
DB00669DrugBank
US2010008986Patent
Registry NumbersSources
Reaxys:5371868Reaxys
CAS:103628-48-4KEGG DRUG
CAS:103628-48-4ChemIDplus
Citations