Anodyne| Entacapone | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Physical properties [] | |
|---|---|
| Molecular mass | 305.29 g/mol [1] |
| Appearance | Crystals from acetic acid + hydrochloric acid [1] |
| Melting point | 162-163 °C [1] |
| Predicted LogP | 2.1 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C14H15N3O5 [1] |
| IUPAC name | (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide [1] |
| SMILES | CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N [1] |
| InChI | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ [1] |
| InChIKey | JRURYQJSLYLRLN-BJMVGYQFSA-N [1] |
Entacapone
Entacapone (also known as Comtan, Comtess, Entacapona, Entacaponum, OR-611, Entacom, Entacapone teva, Entacapone orion, OR 611 or (E)-Entacapone)
Chemistry
Stereochemistry []
Entacapone is a achiral mixture