HuagongsheHuagongshe Chemistry Print Report · For research reference only
Deprenyl hydrochloride
SELEGILINE HCL · jumex · FP-OD · fpf1100 · Amindan · Anipryl · eldepryl · Movergan
Identifiers & Physical Properties
| CAS No. | 14611-52-0 |
|---|---|
| Molecular formula | C13H18ClN |
| Average molar mass | 223.74 g/mol |
| Monoisotopic mass | 223.1127773 g/mol |
| SMILES | C#CCN(C)C(C)Cc1ccccc1.Cl |
| InChIKey | IYETZZCWLLUHIJ-UHFFFAOYSA-N |
| PubChem CID | 92913 |
| ChEMBL | CHEMBL1314409 |
| EC No. | 643-087-6 |
| DTXSID | DTXSID90904745 |
Chemical & Physical Properties
| Topological polar surface area | 3.2 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 195 |
| Solubility | 18.4 [ug/mL] (The mean of the results at pH 7.4)H2O: >10 mg/mLSoluble in water at 100mM |
| Melting point | 141-142°C |
| alpha | D25 -10.8° (c = 6.48 in water) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 6.8 |
| Physical state | solid |
| Color | white |
| optical activity | [α]25/D 10.8°, c = 6.48 in H2O(lit.) |
| Stability | Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| 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 |
| InChIKey | IYETZZCWLLUHIJ-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CC(C)N(C)CC#C.Cl |
| CAS DataBase Reference | 14611-52-0(CAS DataBase Reference) |
| FDA UNII | 6W731X367Q |
| NCI Drug Dictionary | Eldepryl |
| UNSPSC Code | 41116107 |
| NACRES | NA.77 |
| Protein binding | 75-85% |
| Excreted unchanged in urine | Mainly as metabolites |
| Volume of distribution | 500 Litres |
| Biological half-life | 1.5-3.5 / Unchanged |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H336 |
| GHS precautionary statements | P301+P312+P330 |
| Target organs | Central nervous system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 22-36 |
| UN transport number | 3249 |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0292500 |
| Hazard class | 6.1(b)Acute Tox. 4 OralSTOT SE 3 |
| Packing group | III |
| Customs code | 2921490002 |
| Storage class | 11 - Combustible Solids |
| Hazardous substances data | 14611-52-0(Hazardous Substances Data) |
| Toxicity | LD50 in rats (mg/kg): 81 i.v., 280 s.c. (Magyar) |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0292500 |
| UN transport number | 3249 |
| Customs code | 2921490002 |
| Toxicity | LD50 in rats (mg/kg): 81 i.v., 280 s.c. (Magyar) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 22-36 |
| Hazard class | 6.1(b)Acute Tox. 4 OralSTOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| Target organs | Central nervous system |
| GHS hazard statements | H302-H336 |
| GHS precautionary statements | P301+P312+P330 |
| Hazardous substances data | 14611-52-0(Hazardous Substances Data) |
Applications & Uses
Description
Deprenyl (14611-52-0) is a potent inhibitor of monoamine oxidase B (MAO- B) which has been used for the treatment of Parkinson’s disease.1,2 Displays neuroprotective effects rescuing nigral dopaminergic neurons after systemic MPTP treatment.3 Rescues PC12 cells from trophic withdrawal-induced apoptosis.4 Glyceraldehyde-3-phosphate dehydrogenase has been found to be the putative target responsible for its neuroprotective effects.5
Uses
antibacterial
Uses
Antidepressant, Antiparkinsonian
Uses
Selegiline hydrochloride is used to alleviate the symptonms of Parkinsons disease