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CHEBI:64123 - NAN 190 hydrobromide

ChEBI IDCHEBI:64123
ChEBI NameNAN 190 hydrobromide
Stars
DefinitionA hydrobromide obtained by reaction of NAN 190 with one equivalent of hydrobromic acid.
Last Modified8 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC23H27N3O3.HBr
Net Charge0
Average Mass474.399
Monoisotopic Mass473.13140
SMILESBr.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H27N3O3.BrH/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;1H
InChIKeyAXRUEPFPTQYHQD-UHFFFAOYSA-N
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)
NAN 190 hydrobromide (CHEBI:64123) has part NAN 190(1+) (CHEBI:64132)
NAN 190 hydrobromide (CHEBI:64123) has role serotonergic antagonist (CHEBI:48279)
NAN 190 hydrobromide (CHEBI:64123) is a hydrobromide (CHEBI:48367)
IUPAC Name 
2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione hydrobromide
Synonyms  Source
NAN190 hydrobromideChEBI
Nan 190ChemIDplus
1-(2-Methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine hydrobromideChemIDplus
1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium bromideIUPAC
Registry NumbersSources
Reaxys:4775818Reaxys
CAS:115338-32-4ChemIDplus