Ergocornam
N-[1-(1,4-dioxo-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergocornam|Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-((1S)-2-methyl-1-(((3S,8aR)-tetrahydro-3-(1-methylethyl)-1,4-dioxopyrrolo(1,2-a)pyrazin-2(3H)-yl)carbonyl)propyl)-, (8beta)- 4|Carbamic acid, (5-methylpyrrolo(3,2-d)(1,3)thiazin-2-yl-4-ylidene)bis-, diethyl ester|N-{1-[1,4-Dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboximidic acid
| Molecular Formula | C31H39N5O4 |
|---|---|
| Molecular Weight | 545.30023 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.30023 |
| Monoisotopic Mass | 545.30023 |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 77477-94-2 |
|---|---|
| SMILES | CC(C)C1C(=O)N2CCCC2C(=O)N1C(=O)C(C(C)C)NC(=O)C3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C |
| InChIKey | HGFXZZULRBUAON-UHFFFAOYSA-N |
Product Overview
Ergocornam (CAS 77477-94-2), with molecular formula C31H39N5O4 and molecular weight 545.30023 g/mol. IUPAC: N-[1-(1,4-dioxo-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.