SELEGILINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 6W731X367Q
Parent Compound: SELEGILINE

Structure
InChI Key IYETZZCWLLUHIJ-UTONKHPSSA-N
Smile C#CCN(C)[C@H](C)Cc1ccccc1.Cl
InChI
InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClN
Molecular Weight 223.75
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine oxidase B inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 4-10 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Marijuana Abuse 2 D002189 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
22.82
Injury, poisoning and procedural complications
17.29
Skin and subcutaneous tissue disorders
15.09
Psychiatric disorders
12.6
Nervous system disorders
11.5
Cardiac disorders
2.98
Gastrointestinal disorders
2.86
Musculoskeletal and connective tissue disorders
2.8
Immune system disorders
2.43
Investigations
2.31
Vascular disorders
2.31

Cross References

Resources Reference
ChEBI 9087
ChEMBL CHEMBL1200904
EPA CompTox DTXSID9044584
FDA SRS 6W731X367Q
Guide to Pharmacology 6639
KEGG C07245
PubChem 26758
SureChEMBL SCHEMBL41392
ZINC ZINC19632633
CONTENTS