IUPAC name
6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES
CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O
Compound class
Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For use/treatment in neurologic disorders and parkinson's disease as well as moderate-to-severe primary Restless Legs Syndrome.
Common name
Rotigotine
IUPAC name
6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
SMILES
CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O
INCHI
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
FORMULA
C19H25NOS
Common name
Rotigotine
IUPAC name
6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight
315.473
clogP
5.245
clogS
-4.903
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
51.71
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00660 | thiophene |
|
s1cccc1 | 0.0076 |
| FDBF03300 | (2S)-2-(dimethylamino)tetralin-5-ol |
|
N(C)(C1CCc2c(cccc2O)C1)C | 0.0003 |
| FDBF03304 | (2S)-2-[ethyl(methyl)amino]tetralin-5-ol |
|
N(CC)(C1CCc2c(cccc2O)C1)C | 0.0003 |
| FDBF03306 | (2S)-2-[methyl(propyl)amino]tetralin-5-ol |
|
N(C)(C1CCc2c(cccc2O)C1)CCC | 0.0003 |
