Selegiline hydrochlorideProduct ingredient for Selegiline
- Name
- Selegiline hydrochloride
- Drug Entry
- Selegiline
A selective, irreversible inhibitor of Type B monoamine oxidase. It is used in newly diagnosed patients with Parkinson's disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. (From AMA Drug Evaluations Annual, 1994, p385) The compound without isomeric designation is Deprenyl.
- Accession Number
- DBSALT000260
- Structure
Structure for Selegiline hydrochloride (DBSALT000260)
- Synonyms
- Selegiline HCl
- UNII
- 6W731X367Q
- CAS Number
- 14611-52-0
- Weight
- Average: 223.742
Monoisotopic: 223.112777288 - Chemical Formula
- C13H18ClN
- InChI Key
- IYETZZCWLLUHIJ-UTONKHPSSA-N
- 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
- IUPAC Name
- methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride
- SMILES
- Cl.[H][C@@](C)(CC1=CC=CC=C1)N(C)CC#C
- External Links
- PubChem Compound
- 26758
- ChemSpider
- 24931
- ChEBI
- 9087
- ChEMBL
- CHEMBL1200904
- Wikipedia
- Selegiline
- Predicted Properties
Property Value Source Water Solubility 0.0254 mg/mL ALOGPS logP 3.08 ALOGPS logP 2.85 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 8.67 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 61.35 m3·mol-1 Chemaxon Polarizability 22.49 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon