| SpectraBase Spectrum ID |
3sGOBIi4VE |
| Name |
8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-2-methylthio-9,10-didehydro-6-methylergoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24N4O2S |
| InChI |
InChI=1S/C21H24N4O2S/c1-24-8-12(9-25-10-18(26)23-19(27)11-25)6-14-13-4-3-5-16-20(13)15(7-17(14)24)21(22-16)28-2/h3-6,12,17,22H,7-11H2,1-2H3,(H,23,26,27)/t12-,17-/m1/s1 |
| InChIKey |
CCGVILLYPYUCEB-SJKOYZFVSA-N |
| Molecular Weight |
396.509 g/mol |
| SMILES |
[nH]1c2c3c(C=4[C@](N(C[C@](CN5CC(NC(C5)=O)=O)(C4)[H])C)(Cc3c1SC)[H])ccc2 |
| SPLASH |
splash10-014i-1193000000-80da4e33d40c274064f6 |
| Source of Spectrum |
EMC-34-118-7 |
| Synonyms |
4-(((6aR,9S)-7-methyl-5-(methylthio)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione
4-[[(6aR,9S)-7-methyl-5-(methylthio)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
4-[[(6aR,9S)-7-methyl-5-methylsulfanyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione |
| Wiley ID |
1734521 |
