(5Xi)-6-Methyl-9,10-didehydroergoline-8-carboxylic acid
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
Also Known As: Isolysergic acid|LYSERGIC ACID|D-Lysergic acid|O-Paspalic acid|(+)-Lysergic acid|iso-LSD|D(+)-Lysergic acid|CAS_82-58-6|6-Methyl-9,10-didehydroergoline-8-carboxylic acid|(5Xi)-6-Methyl-9,10-didehydroergoline-8-carboxylic acid|Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv.|Ergoline-8.beta.-carboxylic acid, 9,10-didehydro-6-methyl-|6-Methyl-9,10-didehydroergoline-8-carboxylic acid-, (8.beta.)-|Ergoline-8-carboxylic acid, 9,10-didehydro-6-methyl-, (8.beta.)-
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.1212 g/mol |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1212 |
| Monoisotopic Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 478-95-5 |
|---|---|
| SMILES | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O |
| InChIKey | ZAGRKAFMISFKIO-UHFFFAOYSA-N |
Product Overview
(5Xi)-6-Methyl-9,10-didehydroergoline-8-carboxylic acid (CAS 478-95-5), with molecular formula C16H16N2O2 and molecular weight 268.1212 g/mol. IUPAC: 7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid.