(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117)

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ChEBI Name	(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin

ChEBI ID	CHEBI:64117

ChEBI ASCII Name	(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin

Definition	A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively).

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H23NO

Net Charge

Average Mass

233.34920

Monoisotopic Mass

233.17796

InChI

InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1

InChIKey

YGHLYBIUVOLKCV-SMDDNHRTSA-N

SMILES

CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C

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):	dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

Application(s):	dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

ChEBI Ontology
Outgoing	(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) has parent hydride tetralin (CHEBI:35008) (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) has role dopaminergic antagonist (CHEBI:48561) (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) is a secondary amino compound (CHEBI:50995) (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) is a tetralins (CHEBI:36786) (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) is conjugate base of (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118)

Incoming	(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118) is conjugate acid of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117)

IUPAC Name

(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

Synonyms	Sources
(+)-AJ 76	ChEBI
5-Methoxy-1-methyl-2-(n-propylamino)tetralin	ChemIDplus
AJ 76	ChemIDplus
AJ-76	ChemIDplus
cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin	ChEBI

Last Modified

25 February 2016