CHEBI:64091 - 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride

ChEBI IDCHEBI:64091
ChEBI Name1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
Stars
DefinitionA hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).
Last Modified5 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC28H34N2O.2HCl
Net Charge0
Average Mass487.515
Monoisotopic Mass486.22047
SMILESCl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H
InChIKeyNQWRSILGEXNJIT-UHFFFAOYSA-N
Roles Classification
Biological Role:
dopamine uptake inhibitor  A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake.
Application:
dopamine uptake inhibitor  A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake.
ChEBI Ontology
Outgoing Relation(s)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride (CHEBI:64091) has part 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride (CHEBI:64091) has role dopamine uptake inhibitor (CHEBI:51039)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride (CHEBI:64091) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
Synonyms  Source
GBR 12935 dihydrochlorideChEBI
1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium dichlorideIUPAC
Manual XrefsDatabases
US4202896Patent
Registry NumbersSources
Reaxys:5689635Reaxys
Citations