14611-52-0
Product Name:
Selegiline hydrochloride
Formula:
C13H18ClN
Synonyms:
(R)-(−)-N,α-Dimethyl-N-(2-propynyl)phenethylamine hydrochloride;R-(−)-Deprenyl hydrochloride;R(−)-N-α-Dimethyl-N-2-propynyl-benzeneethanamine hydrochloride;Selegiline hydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals |
|---|---|
| Melting Point | 141-142 °C |
| Solubility | 18.2 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 141 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | MW: 187.28; monamine oxidase B inhibitor; oil; bp = 92-93 °C at 0.8 mm Hg /Selegiline/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H336:Specific target organ toxicity,single exposure; Narcotic effects |
COMPUTED DESCRIPTORS
| Molecular Weight | 223.74 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 223.1127773 g/mol |
| Monoisotopic Mass | 223.1127773 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 195 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Selegiline Hydrochloride is the hydrochloride salt form of selegiline, a levorotatory acetylenic derivative of phenethylamine with antiparkinsonian effect. As a selective monoamine oxidase (MAO) inhibitor, selegiline has the greatest affinity for type B MAO, found mainly in the brain. Selegiline is converted by MAO B to an active moiety, which binds irreversibly at the active site of the enzyme's cofactor FAD (flavin adenine dinucleotide) molecule. This prevents the oxidative deamination of catecholamines and serotonin by MAO B, and leads to an increase in these neurotransmitters' activities resulting in improved motor function. In addition, this agent may inhibit re-uptake of dopamine by the neuron and prolong dopamine activity.