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7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione

7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
85118-43-0
Formula:
C22H26FN5O3
Chemical Name:
7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
Theophylline,7-(3-(4-(p-fluorobenzoyl)piperidino)propyl); 7-(3-(4-(p-Fluorobenzoyl)piperidino)propyl)theophylline; Sgd 144 80; Fluprofyllinum [Latin]; 1H-Purine-2,6-dione,7-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-3,7-dihydro-1,3-dimethyl; Fluprofilina [Spanish]; Fluprophylline; Fluprofylline; Fluprofylline [INN];Expand

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7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

427.47200

Exact Mass：

427.20196787 g/mol

UNII：

6Y42K4JRBJ

DSSTox ID：

DTXSID70234254

Characteristics

PSA：

82.13000

XLogP3：

1.49570

Density：

1.36g/cm3

Boiling Point：

643ºC at 760 mmHg

Flash Point：

342.6ºC

Refractive Index：

1.652

Drug Information

MeSH Entry Terms：

7-(2-(4-(4-fluorobenzoyl)piperidino)propyl)theophylline

Computed Properties

Molecular Weight:427.5
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:427.20196787
Monoisotopic Mass:427.20196787
Topological Polar Surface Area:78.8
Heavy Atom Count:31
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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