![[8.beta.-(3,5-dioxo-4-aminopiperazin-1-yl)-methyl]-6-methylergoline](/api/spectrum/G7P6nfNF9Bp/structure.png?h=300&w=458 "[8.beta.-(3,5-dioxo-4-aminopiperazin-1-yl)-methyl]-6-methylergoline")
| SpectraBase Compound ID | 5324j8VHJ1h |
|---|---|
| InChI | InChI=1S/C20H25N5O2/c1-23-8-12(9-24-10-18(26)25(21)19(27)11-24)5-15-14-3-2-4-16-20(14)13(7-22-16)6-17(15)23/h2-4,7,12,15,17,22H,5-6,8-11,21H2,1H3/t12-,15-,17-/m1/s1 |
| InChIKey | HMGQXIJWKWNMMK-SRCQZFHVSA-N |
| Mol Weight | 367.45 g/mol |
| Molecular Formula | C20H25N5O2 |
| Exact Mass | 367.200825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G7P6nfNF9Bp |
|---|---|
| Name | [8.beta.-(3,5-dioxo-4-aminopiperazin-1-yl)-methyl]-6-methylergoline |
| Alternate Name(s) | 1-Amino-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-aminopiperazine-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-amino-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-azanyl-piperazine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25N5O2 |
| InChI | InChI=1S/C20H25N5O2/c1-23-8-12(9-24-10-18(26)25(21)19(27)11-24)5-15-14-3-2-4-16-20(14)13(7-22-16)6-17(15)23/h2-4,7,12,15,17,22H,5-6,8-11,21H2,1H3/t12-,15-,17-/m1/s1 |
| InChIKey | HMGQXIJWKWNMMK-SRCQZFHVSA-N |
| Molecular Weight | 367.453 g/mol |
| SMILES | [nH]1cc2C[C@]3(N(C[C@](CN4CC(N(C(C4)=O)N)=O)(C[C@@]3(c3c2c1ccc3)[H])[H])C)[H] |
| SPLASH | splash10-00kf-5942000000-0c43f302a21b5d0dc1b3 |
| Source of Spectrum | EMC-34-122-25 |
| Wiley ID | 1734503 |