selegiline   

GtoPdb Ligand ID: 6639

Synonyms: Eldepryl® | L-deprenalin | Otrasel® | Selegene® | Zelapar®
selegiline is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Marketed formulations may contain (PubChem CID 26758).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 3.24
Molecular weight 187.14
XLogP 2.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(N(CC#C)C)Cc1ccccc1
Isomeric SMILES C[C@@H](N(CC#C)C)Cc1ccccc1
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
InChI Key MEZLKOACVSPNER-GFCCVEGCSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine
International Nonproprietary Names
INN number INN
4436 selegiline
Synonyms
Eldepryl® | L-deprenalin | Otrasel® | Selegene® | Zelapar®
Database Links
CAS Registry No. 14611-51-9
ChEMBL Ligand CHEMBL972
DrugBank Ligand DB01037
DrugCentral Ligand 2429
GtoPdb PubChem SID 178103252
PubChem CID 26757
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Wikipedia Selegiline