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sumatriptan

Properties

Image

Occurences in reactions

MNX_ID

MNXM161367

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₄H₂₁N₃O₂S

charge

mass

295.13545

reference

chebi:10650

InChIKey

KQKPFRSPSRPDEB-UHFFFAOYSA-N

InChI

InChI=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

SMILES

CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10650 chebi:10650	sumatriptan (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide Imigran Imitrex Sumatran Sumax sumatriptanum
seed.compound:cpd04524 seedM:cpd04524 kegg.compound:C07319 keggC:C07319	Sumatriptan
kegg.drug:D00451 keggD:D00451	Sumatriptan (JAN/USP/INN) Imigran (TN) Imitrex (TN)
hmdb:HMDB0005037	Sumatriptan (3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide (3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulphonamide 1-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide 1-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulphonamide 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulphonamide 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulphonamide GSK Brand OF sumatriptan Glaxo wellcome brand OF sumatriptan Imigran Imigran recovery Imitrex Succinate, sumatriptan Sumatran Sumatriptan GSK brand Sumatriptan succinate Sumatriptanum Sumax sumatriptan
CHEBI:64364 chebi:64364	sumatriptan(1+) N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium sumatriptan cation
hmdb:HMDB05037 keggC:M_C07319 keggD:M_D00451 seedM:M_cpd04524	secondary/obsolete/fantasy identifier