L-VALINE-3-[8-[(E)-2-(3-ETHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER-HYDROCHLORIDE
Compound with spectra: 1 NMR
![L-VALINE-3-[8-[(E)-2-(3-ETHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER-HYDROCHLORIDE](/api/compound/Lw7GZYjxIUq.png?ph=true&h=300&w=458 "L-VALINE-3-[8-[(E)-2-(3-ETHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER-HYDROCHLORIDE")
| SpectraBase Compound ID | Lw7GZYjxIUq |
|---|---|
| InChI | InChI=1S/C26H31N5O5.ClH/c1-6-13-31-24(32)22-23(30(26(31)34)14-8-15-36-25(33)21(27)17(2)3)28-20(29(22)4)12-11-18-9-7-10-19(16-18)35-5;/h1,7,9-12,16-17,21H,8,13-15,27H2,2-5H3;1H/b12-11+;/t21-;/m0./s1 |
| InChIKey | XQIWKNYNUUAUNP-RSPRBCFXSA-N |
| Mol Weight | 530.0 g/mol |
| Molecular Formula | C26H32ClN5O5 |
| Exact Mass | 529.209197 g/mol |
| Parent InChIKey | IXYOPUQCQKDAGR-VIOKTNGOSA-N |
| Enantiomer InChIKey | XQIWKNYNUUAUNP-WLVGZZRDSA-N |
| Racemate InChIKey | XQIWKNYNUUAUNP-CALJPSDSSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
L-VALINE-3-[8-[(E)-2-(3-METHOXYPHENYL)-ETHENYL]-7-METHYL-1-PROPARGYLXANTHIN-3-YL]-PROPYLESTER
1,3-DIPROPYL-1H,3H-PYRIDO-[2,1-F]-PURIN-2,4-DIONE
1-BENZYL-3-PROPYL-1H,3H-PYRIDO-[2,1-F]-PURINE-2,4-DIONE
1,8-DIBENZYL-3-PROPYL-7-METHYL-XANTHINE
1,3-DIPROPYL-1H,3H-PYRAZINO-[2,1-F]-PURIN-2,4-DIONE
8-BENZYL-1-(4-FLUORO-PHENYL)-7-METHYL-3-PROPYL-XANTHINE
1,3-DIPROPYL-6,7,8,9-TETRAHYDRO-1H,3H-PYRIDO-[2,1-F]-PURIN-2,4-DIONE
1,3-DIPROPYL-7,8-DIHYDRO-1H,3H,6H-PYRROLO-[2,1-F]-PURIN-2,4-DIONE
8-[benzyl(methyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3-Dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)purine-2,6-dione
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis and Properties of a New Water-Soluble Prodrug of the Adenosine A2A Receptor Antagonist MSX-2 | Molecules | 2008 |