HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-Chlorophenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
Fifrafylline · Fibrafylline · AcefyllineClofibrol · 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid 2-(4-chlorophenoxy)-2-methylpropyl ester · 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-(4-chlorophenoxy)-2-methylpropyl ester
Identifiers & Physical Properties
| CAS No. | 70788-27-1 |
|---|---|
| Molecular formula | C19H21ClN4O5 |
| Average molar mass | 420.8 g/mol |
| Monoisotopic mass | 420.1200475 g/mol |
| SMILES | Cn1c(=O)c2c(ncn2CC(=O)OCC(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O |
| InChIKey | ICVMNUSJJHSLLM-UHFFFAOYSA-N |
| PubChem CID | 68898 |
| ChEMBL | CHEMBL2104056 |
| DTXSID | DTXSID60221052 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 94 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 653 |
| FDA UNII | WY672D78VW |