| SpectraBase Spectrum ID |
CHLxIarnaON |
| Name |
8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-2-bromo-9,10-didehydro-6-methylergoline |
| Alternate Name(s) |
4-(((6aR,9S)-5-bromo-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione
4-[[(6aR,9S)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
4-[[(6aR,9S)-5-bromanyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrN4O2 |
| InChI |
InChI=1S/C20H21BrN4O2/c1-24-7-11(8-25-9-17(26)23-18(27)10-25)5-13-12-3-2-4-15-19(12)14(6-16(13)24)20(21)22-15/h2-5,11,16,22H,6-10H2,1H3,(H,23,26,27)/t11-,16-/m1/s1 |
| InChIKey |
YPNHNZZRPXMCFO-BDJLRTHQSA-N |
| Molecular Weight |
429.318 g/mol |
| SMILES |
[nH]1c2c3c(C=4[C@](N(C[C@](CN5CC(NC(C5)=O)=O)(C4)[H])C)(Cc3c1Br)[H])ccc2 |
| SPLASH |
splash10-0fbc-0921400000-5418caaedcb553711c3d |
| Source of Spectrum |
EMC-34-117-5 |
| Wiley ID |
1734523 |
