HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
DPTC · CINANSERIN · Cinanserine · DPTC HYDROCHLORIDE · Cinanserin hydrochloride · 2'-(3-DIMETHYLAMINOPROPYL-THIO)-CINNAMANILIDE HYDROCHLORIDE · N-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenylpropenamide · N-[2-[[3-(DIMETHYLAMINO)PROPYL]THIO]PHENYL]-3-PHENYL-2-PROPENAMIDE
![N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide molecular structure](/img/chemical/5913.png)
Identifiers & Physical Properties
| CAS No. | 1166-34-3 |
|---|---|
| Molecular formula | C20H24N2OS |
| Average molar mass | 340.5 g/mol |
| Monoisotopic mass | 340.16093457 g/mol |
| SMILES | CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1 |
| InChIKey | RSUVYMGADVXGOU-UHFFFAOYSA-N |
| PubChem CID | 5913 |
| ChEMBL | CHEMBL533822 |
| DTXSID | DTXSID7045653 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 57.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 8 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 391 |
| Melting point | 82-83 °C |
| Boiling point | 519.5±50.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| RTECS number | UC6323000 |
| Storage conditions | Desiccate at RT |
| Solubility | Chloroform (Slightly), Methanol (Slightly)Soluble to 50 mM in water |
| Physical state | Solid |
| pKa (acidity coefficient) | 13.46±0.70(Predicted) |
| Color | White to Off-White |
| FDA UNII | KI6J9OY7A3 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312a-P330-P501a |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312a-P330-P501a |
Applications & Uses
Uses
Serotonin inhibitor.
Uses
A 5-HT antagonist