metergoline
benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.5 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 17692-51-2 |
|---|---|
| SMILES | CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 |
| InChIKey | WZHJKEUHNJHDLS-QTGUNEKASA-N |
📖 Product Overview
metergoline (CAS: 17692-51-2) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.5 g/mol. Its IUPAC systematic name is benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate.
WZHJKEUHNJHDLS-QTGUNEKASA-N.
SMILES: CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5.
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