![[8.beta.-(3,5-dioxo-4-methylpiperazin-1-yl)-methyl]-6-methylergoline](/api/spectrum/JUtWDuwssek/structure.png?h=300&w=458 "[8.beta.-(3,5-dioxo-4-methylpiperazin-1-yl)-methyl]-6-methylergoline")
| SpectraBase Compound ID | 6AYT8rOok9k |
|---|---|
| InChI | InChI=1S/C21H26N4O2/c1-23-9-13(10-25-11-19(26)24(2)20(27)12-25)6-16-15-4-3-5-17-21(15)14(8-22-17)7-18(16)23/h3-5,8,13,16,18,22H,6-7,9-12H2,1-2H3/t13-,16-,18-/m1/s1 |
| InChIKey | XAUJKWBUENXWDX-MZMPZRCHSA-N |
| Mol Weight | 366.47 g/mol |
| Molecular Formula | C21H26N4O2 |
| Exact Mass | 366.205576 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JUtWDuwssek |
|---|---|
| Name | [8.beta.-(3,5-dioxo-4-methylpiperazin-1-yl)-methyl]-6-methylergoline |
| Alternate Name(s) | 1-Methyl-4-(((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione 4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-1-methylpiperazine-2,6-dione 4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]-1-methyl-piperazine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N4O2 |
| InChI | InChI=1S/C21H26N4O2/c1-23-9-13(10-25-11-19(26)24(2)20(27)12-25)6-16-15-4-3-5-17-21(15)14(8-22-17)7-18(16)23/h3-5,8,13,16,18,22H,6-7,9-12H2,1-2H3/t13-,16-,18-/m1/s1 |
| InChIKey | XAUJKWBUENXWDX-MZMPZRCHSA-N |
| Molecular Weight | 366.465 g/mol |
| SMILES | [nH]1cc2C[C@]3(N(C[C@@](C[C@@]3(c3c2c1ccc3)[H])(CN1CC(N(C(C1)=O)C)=O)[H])C)[H] |
| SPLASH | splash10-014i-3859000000-eea8d96ef4fd425fb145 |
| Source of Spectrum | EMC-34-121-23 |
| Wiley ID | 1734505 |