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Home > Encyclopedia > 7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione

7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione

7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione structure

7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione 

structure
  • CAS No:

    19971-94-9

  • Formula:

    C21H28N6O3

  • Chemical Name:

    7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione

7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

412.48500

412.22228878 g/mol

Characteristics

97.32000

-0.42220

1.37g/cm3

671ºC

359.1ºC

1.681

7.16E-19mmHg at 25°C

Drug Information

7-(beta-hydroxy-gamma-benzylpiperazinopropyl)theophylline

Computed Properties

Molecular Weight:412.5
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:412.22228878
Monoisotopic Mass:412.22228878
Topological Polar Surface Area:93.9
Heavy Atom Count:30
Complexity:622
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 7-(2-hydroxy-4-phenyl-3-piperazin-1-ylbutyl)-1,3-dimethylpurine-2,6-dione

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