Compound Summary
selegiline
Compound Information
selegiline
Compound Name: | selegiline |
Compound CID: | 26757 |
Synonyms: | selegiline L-Deprenalin L-Deprenyl (-)-selegiline Emsam More... |
Iupac Name: | (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine |
InChI: | InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 |
InChIKey: | MEZLKOACVSPNER-GFCCVEGCSA-N |
Canonical Smiles: | CC(CC1=CC=CC=C1)N(C)CC#C |
Isomeric Smiles: | C[C@H](CC1=CC=CC=C1)N(C)CC#C |
Molecular Weight: | 187.28 |
Molecular Formula: | C13H17N |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
selegiline
Molecular Weight: | 187.28 |
Molecular Formula: | C13H17N |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 1 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 14 |
Complexity: | 195 |
Synonyms
selegiline
| selegiline | selegiline |
|---|---|
selegiline |
L-Deprenalin |
L-Deprenyl |
(-)-selegiline |
Emsam |
14611-51-9 |
Eldepryl |
Zelapar |
Jumex |
Selegilinum |
Selegilina |
UNII-2K1V7GP655 |
Selegilinum INN-Latin |
Selegilina INN-Spanish |
N-methyl-N-(2R)-1-phenylpropan-2-ylprop-2-yn-1-amine |
CHEMBL972 |
CHEBI:9086 |
Carbex |
2K1V7GP655 |
Otrasel |
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine |
(-)-Deprenil |
selgene |
Anipryl |
(R)-N-Methyl-N-(1-phenylpropan-2-yl)prop-2-yn-1-amine |
Zalapar |
l-E 250 |
(R)-(-)-Selegiline |
Selegene |
Selegiline USAN:INN:BAN |
(R)-(-)-N,alpha-Dimethyl-N-2-propinylphenethylamine |
Emsam (TN) |
(R)-(-)-N-Methyl-N-(1-phenyl-2-propyl)-2-propinylamin |
Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (R)- |
methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine |
Prestwick0_000552 |
Prestwick1_000552 |
Prestwick2_000552 |
Prestwick3_000552 |
Selegiline (USAN/INN) |
SCHEMBL22232 |
US8633208, Deprenyl |
BSPBio_000623 |
BSPBio_001589 |
SPBio_002544 |
BPBio1_000687 |
GTPL6639 |
DTXSID6023575 |
BDBM15579 |
Benzeneethanamine, N,alpha-methyl-N-2-propynyl-, (alphaR)- |
HMS1791P11 |
HMS1989P11 |
HMS2089D09 |
HMS3402P11 |
(-)-(N)-Methyl-N-((1R)-1-methyl-2-phenylethyl)prop-2-yn-1-amine |
STK640578 |
ZINC19632633 |
AKOS000281115 |
DB01037 |
NCGC00024994-01 |
NCGC00024994-02 |
NCGC00024994-03 |
NCGC00024994-04 |
C07245 |
D03731 |
(r)-(-)-n,2-dimethyl-n-2-propynylphenethylamine |
BRD-K86434416-001-02-7 |
BRD-K86434416-003-03-1 |
BRD-K86434416-003-06-4 |
Q47495783 |
methyl(2R)-1-phenylpropan-2-ylprop-2-yn-1-ylamine |
methyl(2R)-1-phenylpropan-2-yl(prop-2-yn-1-yl)amine |
UNII-DPF682Q08V component MEZLKOACVSPNER-GFCCVEGCSA-N |
UNII-DPF682Q08V component MEZLKOACVSPNER-LBPRGKRZSA-N |
N-methyl-N-(1R)-1-methyl-2-phenylethylprop-2-yn-1-amine |
102741-42-4 |
R(-)-Selegiline solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material |
Experimental Data
selegiline
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mesocricetus auratus | 0.050000000000000 | mg/kg | 408.000000000000000 | 475.000000000000000 | 0.160000000000000 | S | 9258898 | ||||||
| Rattus norvegicus | 0.250000000000000 | % | 1147.000000000000000 | 1337.000000000000000 | 16.500000000000000 | Unclear | MALES | 2118586 | |||||
| Mus musculus | 0.250000000000000 | mg/kg | 898.000000000000000 | 933.000000000000000 | 3.900000000000000 | Unclear | FEMALES | 8914495 | |||||
| Rattus norvegicus | 0.500000000000000 | mg/kg | 874.300000000000000 | 919.600000000000000 | 5.180000000000000 | Unclear | 8423709 | ||||||
| Mus musculus | 0.250000000000000 | mg/kg | 950.000000000000000 | 949.000000000000000 | -0.110000000000000 | Unclear | FEMALES | 8914495 | Inactive | ||||
| Rattus norvegicus | 0.500000000000000 | mg/kg | 872.300000000000000 | 926.600000000000000 | 6.220000000000000 | Unclear | 8423709 | ||||||
| Rattus norvegicus | 0.500000000000000 | mg | 5.600000000000000 | Unclear | MALES | 8030852 | |||||||
| Rattus norvegicus | 0.500000000000000 | mg/kg | 885.800000000000000 | 932.400000000000000 | 5.260000000000000 | Unclear | 8423709 | ||||||
| Mus musculus | 0.250000000000000 | mg/kg | 1003.000000000000000 | 1073.000000000000000 | 6.980000000000000 | Unclear | MALES | 8914495 | |||||
| Mus musculus | 0.250000000000000 | mg/kg | 1036.000000000000000 | 1054.000000000000000 | 1.740000000000000 | Unclear | MALES | 8914495 |
Experimental Data Visualization
selegiline
Statistics Data
selegiline
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Mesocricetus auratus | 0.160000000000000 | 1 | 1 | |
| Mus musculus | 6.980000000000000 | 1 | 4 | |
| Rattus norvegicus | 16.500000000000000 | 3 | 5 |
Statistics Data Visualization
selegiline
