rasagiline   

GtoPdb Ligand ID: 6641

Synonyms: Azilect® | TVP-1012
rasagiline is an approved drug (EMA (2005), FDA (2006))
Compound class: Synthetic organic
Comment: Marketed formulations may contain rasagiline mesylate (PubChem CID 3052775).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 12.03
Molecular weight 171.1
XLogP 2.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C#CCNC1CCc2c1cccc2
Isomeric SMILES C#CCN[C@@H]1CCc2c1cccc2
InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChI Key RUOKEQAAGRXIBM-GFCCVEGCSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2005), FDA (2006))
IUPAC Name
(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
International Nonproprietary Names
INN number INN
7151 rasagiline
Synonyms
Azilect® | TVP-1012
Database Links
CAS Registry No. 136236-51-6 (source: Scifinder)
ChEMBL Ligand CHEMBL887
DrugBank Ligand DB01367
DrugCentral Ligand 3521
GtoPdb PubChem SID 178103254
PubChem CID 3052776
RCSB PDB Ligand RAU
Search Google for chemical match using the InChIKey RUOKEQAAGRXIBM-GFCCVEGCSA-N
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Search UniChem for chemical match using the InChIKey RUOKEQAAGRXIBM-GFCCVEGCSA-N
Search UniChem for chemicals with the same backbone RUOKEQAAGRXIBM
Wikipedia Rasagiline