RASAGILINE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: Salt
UNII: LH8C2JI290
Parent Compound: RASAGILINE

Structure
InChI Key JDBJJCWRXSVHOQ-UTONKHPSSA-N
Smile C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O
InChI
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17NO3S
Molecular Weight 267.35
AlogP 1.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine oxidase B inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 14-36 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 4 D010300 ClinicalTrials
Multiple System Atrophy 2 D019578 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
21.15
General disorders and administration site conditions
13.45
Psychiatric disorders
11.66
Musculoskeletal and connective tissue disorders
7.24
Vascular disorders
6.42
Gastrointestinal disorders
6.26
Injury, poisoning and procedural complications
5.61
Cardiac disorders
5.06
Respiratory, thoracic and mediastinal disorders
4.27
Skin and subcutaneous tissue disorders
3.35
Investigations
3.29

Cross References

Resources Reference
ChEBI 63620
ChEMBL CHEMBL1201142
EPA CompTox DTXSID8047848
FDA SRS LH8C2JI290
Guide to Pharmacology 6641
KEGG D08469
PDB RAS
PubChem 3052775
SureChEMBL SCHEMBL158439
ZINC ZINC19875504
CONTENTS