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CHEBI:64364 - sumatriptan(1+)

ChEBI IDCHEBI:64364
ChEBI Namesumatriptan(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino function of sumatriptan.
Last Modified23 August 2024
SubmitterSteve
DownloadsMolfile
FormulaC14H22N3O2S
Net Charge+1
Average Mass296.416
Monoisotopic Mass296.14272
SMILESCNS(=O)(=O)Cc1ccc2ncc(CC[NH+](C)C)c2c1
InChIInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/p+1
InChIKeyKQKPFRSPSRPDEB-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
sumatriptan(1+) (CHEBI:64364) is a ammonium ion derivative (CHEBI:35274)
sumatriptan(1+) (CHEBI:64364) is a organic cation (CHEBI:25697)
sumatriptan(1+) (CHEBI:64364) is conjugate acid of sumatriptan (CHEBI:10650)
Incoming Relation(s)
sumatriptan succinate (CHEBI:64359) has part sumatriptan(1+) (CHEBI:64364)
sumatriptan (CHEBI:10650) is conjugate base of sumatriptan(1+) (CHEBI:64364)
IUPAC Name 
N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium
Synonym  Source
sumatriptan cationChEBI