Basic information
- CAS
82190-91-8- Standard SMILES
Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O- InChIKey
PMEYQPKJAPXGPS-UHFFFAOYSA-N- Molecular formula
- C21H24FN5O3
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.18631781
Overview
Flufylline is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Flufylline is a N-methylated xanthine derivative. Flufylline has a monoisotopic molecular weight of 413.19 Da.
Names & identifiers
- Preferred name
- Flufylline
- IUPAC
- 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
- English name
- Flufylline
- Molecular weight
- 0
Names & synonyms
Flufylline82190-91-8FlufyllinFlufilinaFlufyllinum7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophyllineSgd-19578O8G173034UDTXSID602316117-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)theophyllineRefChem:140833DTXCID90154102
Show more names
7-[2-[4-(p-Fluorobenzoyl)piperidino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione7-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione3,7-Dihydro-1,3-dimethyl-7-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-1H-purine-2,6-dione
Flufylline [INN]Sgd 195 787-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione1H-Purine-2,6-dione, 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl-Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-Flufilina [Spanish]Flufyllinum [Latin]UNII-O8G173034U
Database identifiers
- CAS
82190-91-8- PubChem CID
- 71255
- DTXSID
DTXSID60231611
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- FDA UNII
- 8 G173034U · O8G173034U
Chemistry & industry
Applications
UsesFlufylline is a selective α1-adrenoceptor antagonist.
Suppliers4 total
United States Biological Inc.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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