CHEBI:9086 - (−)-selegiline

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ChEBI Name (−)-selegiline
ChEBI ID CHEBI:9086
ChEBI ASCII Name (-)-selegiline
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H17N
Net Charge 0
Average Mass 187.28080
Monoisotopic Mass 187.136
InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKey MEZLKOACVSPNER-GFCCVEGCSA-N
SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-selegiline (CHEBI:9086) is a selegiline (CHEBI:50217)
(−)-selegiline (CHEBI:9086) is a terminal acetylenic compound (CHEBI:73477)
(−)-selegiline (CHEBI:9086) is conjugate base of (−)-selegiline(1+) (CHEBI:50350)
Incoming (−)-selegiline(1+) (CHEBI:50350) is conjugate acid of (−)-selegiline (CHEBI:9086)
IUPAC Name
N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine
INNs Sources
selegilina ChemIDplus
selegiline KEGG DRUG
selegilinum ChemIDplus
Synonyms Sources
L-Deprenalin DrugBank
Selegiline KEGG COMPOUND
Brand Name Source
EmSam DrugBank
Manual Xrefs Databases
2429 DrugCentral
C07245 KEGG COMPOUND
D03731 KEGG DRUG
DB01037 DrugBank
LSM-5920 LINCS
NL6605956 Patent
Selegiline Wikipedia
US4564706 Patent
View more database links
Registry Numbers Types Sources
14611-51-9 CAS Registry Number ChemIDplus
5863318 Beilstein Registry Number Beilstein
Last Modified
22 February 2017