NAN 190 (CHEBI:64131)

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ChEBI Name	NAN 190

ChEBI ID	CHEBI:64131

Definition	An N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C23H27N3O3

Net Charge

Average Mass

393.47880

Monoisotopic Mass

393.20524

InChI

InChI=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

InChIKey

SJDOMIRMMUGQQK-UHFFFAOYSA-N

SMILES

COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

Application(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	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	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	Sources
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	ChEBI
NAN-190	ChEBI
NAN190	ChEBI

Last Modified

25 February 2016