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CHEBI:73380 - GR 113808

ChEBI IDCHEBI:73380
ChEBI NameGR 113808
Stars
DefinitionAn indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.
Last Modified25 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC19H27N3O4S
Net Charge0
Average Mass393.509
Monoisotopic Mass393.17223
SMILESCn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChIKeyMOZPSIXKYJUTKI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
GR 113808 (CHEBI:73380) has role serotonergic antagonist (CHEBI:48279)
GR 113808 (CHEBI:73380) is a indolyl carboxylate ester (CHEBI:46939)
GR 113808 (CHEBI:73380) is a piperidines (CHEBI:26151)
GR 113808 (CHEBI:73380) is a sulfonamide (CHEBI:35358)
IUPAC Name 
(1-{2-[(methylsulfonyl)amino]ethyl}piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate
Synonyms  Source
GR113808ChemIDplus
GR-113808ChemIDplus
Manual XrefsDatabases
EP501322Patent
GR-113,808Wikipedia
LSM-3098LINCS
Registry NumbersSources
Reaxys:7778599Reaxys
CAS:144625-51-4ChemIDplus
Citations