Basic information
- Standard SMILES
Cn1c(=O)c2c(ncn2CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O- InChIKey
IPSYNNODBHPDFB-UHFFFAOYSA-N- Molecular formula
- C22H26FN5O3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.20196791
Overview
Fluprofylline is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Fluprofylline is a N-methylated xanthine derivative. Fluprofylline has a monoisotopic molecular weight of 427.2 Da.
Names & identifiers
- Preferred name
- Fluprophylline
- IUPAC
- 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
- English name
- Fluprofylline
- Molecular formula
- C22H26FN5O3
- Molecular weight
- 427.47
Names & synonyms
FluprophyllineFluprophyllinSgd-144801H-Purine-2,6-dione, 7-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-3,7-dihydro-1,3-dimethyl-7-(2-(4-(4-fluorobenzoyl)piperidino)propyl)theophyllineRefChem:141028FluprofyllineFluprofilinaFluprofylline [INN]85118-43-07-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione6Y42K4JRBJ
Show more names
7-[3-[4-(p-Fluorobenzoyl)piperidino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione7-[3-[4-(4-Fluorobenzoyl)piperidin-1-yl]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione7-[3-[4-(4-Fluorobenzoyl)-1-piperidinyl]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 7-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl]-3,7-dihydro-1,3-dimethyl-
7-(3-(4-(p-Fluorobenzoyl)piperidino)propyl)theophyllineFluprofilina [Spanish]FluprofyllinumFluprofyllinum [Latin]Sgd 144 80UNII-6Y42K4JRBJSCHEMBL683614Sgd 14480
Database identifiers
- CAS
85118-43-0- PubChem CID
- 65636
- DTXSID
DTXSID70234254- ChEMBL
CHEMBL2106362- UNII
- 6Y42K4JRBJ
- Nikkaji
- J23.300E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Boiling point
- 643 · 643.0±65.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.10(Predicted)
- FDA UNII
- 6 Y42K4JRBJ · 6Y42K4JRBJ
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
2 records
Linked notes
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