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

ChEBI IDCHEBI:64117
ChEBI Name(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
Stars
ASCII Name(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
DefinitionA 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).
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H23NO
Net Charge0
Average Mass233.355
Monoisotopic Mass233.17796
SMILESCCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=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
InChIKeyYGHLYBIUVOLKCV-SMDDNHRTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Application:
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 Relation(s)
(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 Relation(s)
(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  Source
(+)-AJ 76ChEBI
AJ-76ChemIDplus
5-Methoxy-1-methyl-2-(n-propylamino)tetralinChemIDplus
AJ 76ChemIDplus
cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralinChEBI
Manual XrefsDatabases
LSM-25635LINCS
Registry NumbersSources
Reaxys:4745495Reaxys
CAS:85379-09-5ChemIDplus
Citations