CHEBI:64131 - NAN 190

ChEBI IDCHEBI:64131
ChEBI NameNAN 190
Stars
DefinitionAn N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC23H27N3O3
Net Charge0
Average Mass393.487
Monoisotopic Mass393.20524
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKeySJDOMIRMMUGQQK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
NAN 190 (CHEBI:64131) has role serotonergic antagonist (CHEBI:48279)
NAN 190 (CHEBI:64131) is a N-alkylpiperazine (CHEBI:46845)
NAN 190 (CHEBI:64131) is a N-arylpiperazine (CHEBI:46848)
NAN 190 (CHEBI:64131) is a phthalimides (CHEBI:82851)
NAN 190 (CHEBI:64131) is conjugate base of NAN 190(1+) (CHEBI:64132)
Incoming Relation(s)
NAN 190(1+) (CHEBI:64132) is conjugate acid of NAN 190 (CHEBI:64131)
IUPAC Name 
2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione
Synonyms  Source
NAN190ChEBI
NAN-190ChEBI
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazineChEBI
Manual XrefsDatabases
NAN-190Wikipedia
LSM-3548LINCS
Registry NumbersSources
Reaxys:4273016Reaxys
CAS:115388-32-4Wikipedia
Citations