| SpectraBase Spectrum ID |
L0qodM9gVAe |
| Name |
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-D3)- |
| Alternate Name(s) |
1-Trideuteromethyl-3,7-dimethylxanthine
Caffeine(N(1)CD3)
Caffeine-.alpha.1,.alpha.1,.alpha.1-D3
Deuteromethyl derivative of theophylline
3,7-Dimethyl-1-(trideuteriomethyl)purine-2,6-dione |
| CAS Registry Number |
26351-03-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7D3N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3D3 |
| InChIKey |
RYYVLZVUVIJVGH-HPRDVNIFSA-N |
| Molecular Weight |
197.212 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C([2D])([2D])[2D])[n](C)cn1 |
| SPLASH |
splash10-052b-7900000000-15ece3a9d6dd1daea0ff |
| Source of Spectrum |
G-34-1660-1 |
| Wiley ID |
1190143 |
