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CHEBI:64115 - (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride

ChEBI IDCHEBI:64115
ChEBI Name(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride
Stars
ASCII Name(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride
DefinitionA hydrochloride obtained by reaction of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin with one equivalent of hydrochloric acid. 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 Modified7 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC15H23NO.HCl
Net Charge0
Average Mass269.816
Monoisotopic Mass269.15464
SMILESCCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C.Cl
InChIInChI=1S/C15H23NO.ClH/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;1H/t11-,14+;/m0./s1
InChIKeyKIRYNZFMOLYYQB-YECZQDJWSA-N
Roles Classification
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 hydrochloride (CHEBI:64115) has part (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118)
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride (CHEBI:64115) has role dopaminergic antagonist (CHEBI:48561)
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride (CHEBI:64115) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
Synonyms  Source
(+)-AJ 76 hydrochlorideChEBI
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chlorideIUPAC
cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochlorideChEBI
Registry NumbersSources
Reaxys:6076657Reaxys