2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080)

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ChEBI Name	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile

ChEBI ID	CHEBI:134080

Definition	A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.

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

Supplier Information

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Formula

C26H36N2O4

Net Charge

Average Mass

440.576

Monoisotopic Mass

440.26751

InChI

InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3

InChIKey

UPKQNCPKPOLASS-UHFFFAOYSA-N

SMILES

O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: MetaboLights Study

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

ChEBI Ontology
Outgoing	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080) is a aromatic ether (CHEBI:35618) 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080) is a nitrile (CHEBI:18379) 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080) is a polyether (CHEBI:46774) 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080) is a secondary amino compound (CHEBI:50995)

Incoming	(R)-norverapamil (CHEBI:134082) is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080) (S)-norverapamil (CHEBI:134081) is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile (CHEBI:134080)

IUPAC Name

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile

Last Modified

07 December 2016

General Comment
2016-12-07	This is the entry for the entity with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-norverapamil and (S)-norverapamil] and for the racemate (norverapamil).