For research use only. Not for therapeutic Use.
1-(3-Bromopropyl)theobromine (Cat. No: R049119) is a heterocyclic compound that is an impurity in the synthesis of theobromine and can be used as a standard control in the field of pharmaceutical research.
| Catalog Number | R049119 |
| CAS Number | 6493-10-3 |
| Synonyms | 1-(3-Bromopropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; |
| Molecular Formula | C10H13BrN4O2 |
| Purity | ≥95% |
| Storage | Store at -20°C |
| IUPAC Name | 1-(3-bromopropyl)-3,7-dimethylpurine-2,6-dione |
| InChI | InChI=1S/C10H13BrN4O2/c1-13-6-12-8-7(13)9(16)15(5-3-4-11)10(17)14(8)2/h6H,3-5H2,1-2H3 |
| InChIKey | GCEJJEYAPRULFS-UHFFFAOYSA-N |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCBr |
