Preferred Name

sumatriptan

Synonyms

1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide

sumatriptanum

3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide

(3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide

Sumax

1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide

sumatriptan

Imigran

3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide

Sumatran

Imitrex

Definitions

A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.

ID

http://purl.obolibrary.org/obo/CHEBI_10650

charge

0

database_cross_reference

PMID:17557349

PMID:12856385

DrugBank:DB00669

Wikipedia:Sumatriptan

Reaxys:5346011

LINCS:LSM-5618

CAS:103628-46-2

PMID:16120224

PMID:15652399

PMID:22106962

PMID:18442019

PMID:16142613

PMID:12172708

PMID:11401410

KEGG:C07319

PMID:19619527

PMID:12917936

PMID:22336867

PMID:22302025

Drug_Central:2543

HMDB:HMDB0005037

PMID:11045888

PMID:22336868

PMID:22435741

PMID:22150557

PMID:22336849

Beilstein:5346011

PMID:22272067

PMID:19825906

KEGG:D00451

definition

A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.

formula

C14H21N3O2S

has exact synonym

1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide

has functional parent

http://purl.obolibrary.org/obo/CHEBI_28969

has role

http://purl.obolibrary.org/obo/CHEBI_35941

http://purl.obolibrary.org/obo/CHEBI_50514

has_obo_namespace

chebi_ontology

has_related_synonym

sumatriptanum

3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide

(3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide

Sumax

1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide

sumatriptan

Imigran

3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide

Sumatran

Imitrex

id

CHEBI:10650

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

inchikey

KQKPFRSPSRPDEB-UHFFFAOYSA-N

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_64364

label

sumatriptan

mass

295.40000

monoisotopicmass

295.13545

notation

CHEBI:10650

prefLabel

sumatriptan

smiles

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35358

http://purl.obolibrary.org/obo/CHEBI_27162

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Delete Mapping To Ontology Source
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