Bluedark| Duloxetine | |
|---|---|
 |
| Salts [] | |
|---|---|
| Duloxetine hydrochloride | |
|
| Molecular structure via molpic | |
|
| |
| Molecular formula | C18H19NOS |
|---|---|
| Molecular mass | 297.4 g/mol |
| Predicted LogP | 4.3 |
| Solubility | 2.96e-03 g/L |
| Chirality | absolute |
| Identifiers [] | |
|---|---|
| IUPAC name | (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine |
| SMILES | CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 |
| InChI | InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
Duloxetine
Duloxetine (also known as (S)-Duloxetine, Yentreve, Cymbalta, (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, LY 248686, Duloxetina, 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (γS)-, LY248686, methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine or LY-248686)
Chemistry
Duloxetine is typically found in the form of its hydrochloride salt.
Stereochemistry
Duloxetine is a absolute mixturePharmacology
| Predicted binding sites (SwissTargetPredictions)[] | ||
|---|---|---|
| Target | Target Class | Probability |
| Sodium-dependent Norepinephrine | Transporter | 0.43 |
| Sodium-dependent Serotonin | Transporter | 0.43 |
| Sodium-dependent Dopamine | Transporter | 0.43 |
| Trace amine-associated | Receptor 1 | 0.43 |
| Trace amine-associated | Receptor 2 | 0.43 |
| Monoamine oxidase | Enzyme A | 0.34 |
| Monoamine oxidase | Enzyme B | 0.34 |
| Sigma non-opioid intracellular | Receptor 1 | 0.34 |
| Serotonin | Receptor 2A | 0.30 |
| Serotonin | Receptor 2C | 0.30 |