EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3763 - clorgyline

Default Structure
ChEBI IDCHEBI:3763
ChEBI Nameclorgyline
Stars
DefinitionAn aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.
Last Modified25 February 2016
DownloadsMolfile
FormulaC13H15Cl2NO
Net Charge0
Average Mass272.175
Monoisotopic Mass271.05307
SMILESC#CCN(C)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
InChIKeyBTFHLQRNAMSNLC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 1.4.3.4 (monoamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
clorgyline (CHEBI:3763) has role antidepressant (CHEBI:35469)
clorgyline (CHEBI:3763) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623)
clorgyline (CHEBI:3763) is a aromatic ether (CHEBI:35618)
clorgyline (CHEBI:3763) is a dichlorobenzene (CHEBI:23697)
clorgyline (CHEBI:3763) is a terminal acetylenic compound (CHEBI:73477)
clorgyline (CHEBI:3763) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine
INNs  Source
clorgilinaChemIDplus
clorgilineWHO MedNet
clorgilineChemIDplus
clorgilinumChemIDplus
Synonyms  Source
N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-2-propynylamineChemIDplus
N-methyl-N-propargyl-3-(2,4-dichlorophenoxy)propylamineChEBI
M and B 9302ChemIDplus
M & B 9302ChemIDplus
M&B 9302ChemIDplus
Manual XrefsDatabases
C11685KEGG COMPOUND
ClorgilineWikipedia
CPD-7656MetaCyc
D03248KEGG DRUG
DB04017DrugBank
LSM-5808LINCS
MLGPDBeChem
Registry NumbersSources
Reaxys:1976758Reaxys
CAS:17780-72-2ChemIDplus
CAS:17780-72-2NIST Chemistry WebBook
CAS:17780-72-2KEGG COMPOUND
Citations