Ergonovine maleate
but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergonovine maleate|(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
CAS: 129-51-1
| Molecular Formula | C23H27N3O6 |
|---|---|
| Molecular Weight | 441.18997 g/mol |
| LogP | 1.2464 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18997 |
| Monoisotopic Mass | 441.18997 |
| Heavy Atoms | 32 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 129-51-1 |
|---|---|
| SMILES | CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
| InChIKey | YREISLCRUMOYAY-UHFFFAOYSA-N |
Product Overview
Ergonovine maleate (CAS 129-51-1), with molecular formula C23H27N3O6 and molecular weight 441.18997 g/mol. IUPAC: but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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