8-bromo-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CHEM302451)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 00:22:09 UTC | ||||||||
| Update Date | 2026-08-29 00:22:09 UTC | ||||||||
| Accession Number | CHEM302451 | ||||||||
| Identification | |||||||||
| Common Name | 8-bromo-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 8-bromo-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C17H17BrN4O3 and an average molecular weight of 405.20 g/mol. This substance is further classified as an organic oxygen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H17BrN4O3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 404.048 g/mol | ||||||||
| CAS Registry Number | 96885-28-8 | ||||||||
| IUPAC Name | 8-bromo-7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C | ||||||||
| InChI Identifier | InChI=1S/C17H17BrN4O3/c1-4-10-5-7-11(8-6-10)12(23)9-22-13-14(19-16(22)18)20(2)17(25)21(3)15(13)24/h5-8H,4,9H2,1-3H3 | ||||||||
| InChI Key | AWIGUZKVXQXREY-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
