Bluedark| 8-BTP | |
|---|---|
| |
| Molecular structure via molpic | |
| Molecular formula | C7H7BrN4O2 |
| Molecular mass | 259.06 g/mol |
| Predicted LogP | 1 |
| Melting point | 295-316 ºC |
| Boiling point | Decomposes at 300 ºC |
| Solubility | Soluble |
| Identifiers [] | |
|---|---|
| IUPAC name | 8-bromo-1,3-dimethyl-7H-purine-2,6-dione |
| Cannonical SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br |
| InChI | InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| InChIKey | SKTFQHRVFFOHTQ-UHFFFAOYSA-N |
8-Bromotheophylline
8-Bromotheophylline (also known as Bromotheophylline, Theophylline, 8-bromo-, 8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-, 8-Bromotheophyline, 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, EINECS 233-846-6, 8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione or 8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione) is a substance of the xanthine class.