Flufylline (CHEM124780)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 12:42:52 UTC | ||||||||
| Update Date | 2026-08-21 19:00:13 UTC | ||||||||
| Accession Number | CHEM124780 | ||||||||
| Identification | |||||||||
| Common Name | Flufylline | ||||||||
| Class | Small Molecule | ||||||||
| Description | Flufylline is an organic compound with the formula C21H24F1N5O3 and an average molecular weight of 413.45 g/mol. Flufylline belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is further classified as an organic oxygen compound and an organooxygen compound. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H24F1N5O3 | ||||||||
| Average Molecular Mass | 413.453 g/mol | ||||||||
| Monoisotopic Mass | 413.186 g/mol | ||||||||
| CAS Registry Number | 82190-91-8 | ||||||||
| IUPAC Name | 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C2=C(N(CCN3CCC(CC3)C(=O)C3=CC=C(F)C=C3)C=N2)C(=O)N(C)C1=O | ||||||||
| InChI Identifier | InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 | ||||||||
| InChI Key | PMEYQPKJAPXGPS-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | ||||||||
