The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

sumatriptan succinate

Synonyms

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

3-(2-(Dimethylamino)ethyl)-N-methylindole-5-methanesulfonamide succinate

C18H27N3O6S

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

sumatriptan hydrogen succinate

N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium 3-carboxypropanoate

Imitrex

ID

http://purl.obolibrary.org/obo/CHEBI_64359

altId

CHEBI:9357

Definition

A 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)

has role

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

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

InChI

InChI=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)

InChIKey

InChIKey=PORMUFZNYQJOEI-UHFFFAOYSA-N

label

sumatriptan succinate

prefixIRI

obo2:CHEBI_64359

prefLabel

sumatriptan succinate

SMILES

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

Synonym

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

3-(2-(Dimethylamino)ethyl)-N-methylindole-5-methanesulfonamide succinate

C18H27N3O6S

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

sumatriptan hydrogen succinate

N,N-dimethyl-2-{5-[(methylsulfamoyl)methyl]-1H-indol-3-yl}ethanaminium 3-carboxypropanoate

Imitrex

xref

CiteXplore:21873014

ChEMBL:775101

KEGG DRUG:D00676

DrugBank:DB00669

CiteXplore:17182233

CiteXplore:21128126

CiteXplore:22375417

CiteXplore:20067437

CiteXplore:19888880

CiteXplore:20458929

Reaxys:5371868

CiteXplore:20136486

CASRN:103628-48-4

CiteXplore:20429812

Patent:US2010008986

CiteXplore:20353434

CiteXplore:21804234

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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