| SpectraBase Spectrum ID |
5A5Cl542mup |
| Name |
[8.beta.-(3,5-dioxo-4-(2,6-dimethylphenyl)piperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline |
| Alternate Name(s) |
1-(2,6-dimethylphenyl)-4-(((9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30N4O2 |
| InChI |
InChI=1S/C28H30N4O2/c1-17-6-4-7-18(2)28(17)32-25(33)15-31(16-26(32)34)14-19-10-22-21-8-5-9-23-27(21)20(12-29-23)11-24(22)30(3)13-19/h4-10,12,19,24,29H,11,13-16H2,1-3H3/t19-,24?/m1/s1 |
| InChIKey |
IIHXEKHHUAMEQK-PHSANKKPSA-N |
| Molecular Weight |
454.574 g/mol |
| SMILES |
[nH]1cc2CC3N(C[C@@](C=C3c3c2c1ccc3)(CN1CC(N(C(C1)=O)c1c(cccc1C)C)=O)[H])C |
| SPLASH |
splash10-0ur3-1490700000-ce59017c14eb68e4cfa0 |
| Source of Spectrum |
EMC-34-120-17 |
| Wiley ID |
1734511 |
![[8.beta.-(3,5-dioxo-4-(2,6-dimethylphenyl)piperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline](/api/spectrum/5A5Cl542mup/structure.png?h=300&w=458 "[8.beta.-(3,5-dioxo-4-(2,6-dimethylphenyl)piperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline")
