CAS Number82190-91-8
SynonymsFlufyllin; Flufilina [Spanish]; 1H-Purine-2,6-dione,7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl; Sgd 195 78; Flufylline; Flufyllinum [Latin]; Theophylline,7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl); 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline; Flufylline [INN]
Molecular FormulaC21H24FN5O3
Molecular Weight413.44500
Purity98%%
Density1.39g/cm3
Boiling Point632.8ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 82190-91-8 |
| Catalog No. | 2A-9060840 |
| Chinese Name | 氟鲁茶碱 |
| Synonyms | Flufyllin; Flufilina [Spanish]; 1H-Purine-2,6-dione,7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl; Sgd 195 78; Flufylline; Flufyllinum [Latin]; Theophylline,7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl); 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline; Flufylline [INN] |
| Molecular Formula | C21H24FN5O3 |
| Molecular Weight | 413.44500 |
| Purity | 98% |
| Density | 1.39g/cm3 |
| Boiling Point | 632.8ºC at 760 mmHg |
| SMILES | Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O |
| InChI | 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 |
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