Anodyne| DMPX | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 218.21 g/mol [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C10H10N4O2 [1] |
| IUPAC name | 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione [1] |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C [1] |
| InChI | InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3 [1] |
| InChIKey | IORPOFJLSIHJOG-UHFFFAOYSA-N [1] |
1-Propargyltheobromine
1-Propargyltheobromine (also known as 3,7-Dimethyl-1-propargylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)-, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-, Theobromine, 1-(2-propynyl)-, 634-261-2, 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione, 3,7-Dimethyl-I-propargylxanthine, starbld0000258, Lopac-D-134 or Lopac0_000428) is a
Chemistry
Stereochemistry []
1-Propargyltheobromine is a achiral mixture
See also []
External links []
- 1-Propargyltheobromine (Wikipedia)
- 1-Propargyltheobromine (Wikidata)
- 1-Propargyltheobromine (PubChem)
- 1-Propargyltheobromine (ChEMBL)
- 1-Propargyltheobromine (Probes & Drugs)
- 1-Propargyltheobromine (Common Chemistry)
- 1-Propargyltheobromine (HMDB)
- 1-Propargyltheobromine (UNII)
- 1-Propargyltheobromine (EPA DSSTox)
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 99562, 1-Propargyltheobromine. Accessed June 27, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/99562
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 1-Propargyltheobromine. UNII: 5YFR5SPS6T. Global Substance Registration System. Accessed June 27, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5YFR5SPS6T