Anodyne| Ergonovine | |
|---|---|
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Physical properties [] | |
|---|---|
| Molecular mass | 325.4 g/mol [1] |
| Appearance | Plates or needles [1] |
| Melting point | 162 °C [1] |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. [1] |
| Solubility | Freely soluble in lower alcohols, ethyl acetate, acetone; more soluble in water than other principal alkaloids of ergot; slightly soluble in chloroform [1] |
| Predicted LogP | 1.8 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C19H23N3O2 [1] |
| IUPAC name | (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide [1] |
| SMILES | C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C [1] |
| InChI | InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1 [1] |
| InChIKey | WVVSZNPYNCNODU-XTQGRXLLSA-N [1] |
Ergonovine
Ergonovine (also known as Ergometrine, Ergobasine, Ergotocine, Ergostetrine, Ergometrin, Margonovine, Ergometrina, Ergoklinine, Ergometrinum or Secacornin) is a
Chemistry
Stereochemistry []
Ergonovine is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 443884, Ergonovine. Accessed July 27, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/443884