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CHEBI:140905 - N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride

ChEBI IDCHEBI:140905
ChEBI NameN-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
Stars
ASCII NameN-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
DefinitionAn aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective σ1 receptor antagonist.
Last Modified26 October 2018
SubmitterCeri
DownloadsMolfile
FormulaC23H33NO2.HCl
Net Charge0
Average Mass391.983
Monoisotopic Mass391.22781
SMILESCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.[H]Cl
InChIInChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
InChIKeyZHGMDXSHODHWHV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
receptor modulator  A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
ChEBI Ontology
Outgoing Relation(s)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) has role antipsychotic agent (CHEBI:35476)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) has role receptor modulator (CHEBI:90710)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a aromatic ether (CHEBI:35618)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a hydrochloride (CHEBI:36807)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a methoxybenzenes (CHEBI:51683)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
Synonyms  Source
NE-100SUBMITTER
NE 100SUBMITTER
4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-benzeneethanamine hydrochlorideChEBI
N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxyl)phenyl]ethylamine hydrochlorideChEBI
N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochlorideChemIDplus
Manual XrefsDatabases
US5495046Patent
EP0717990Patent
Registry NumbersSources
Reaxys:8296389Reaxys
CAS:149409-57-4SUBMITTER
CAS:149409-57-4ChemIDplus
Citations