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Home > Encyclopedia > 8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione

8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione

8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione structure

8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione 

structure
  • CAS No:

    16877-94-4

  • Formula:

    C10H11BrN4O3

  • Chemical Name:

    8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione

  • Synonyms:

    1-(2,3-Epoxypropyl)-8-bromtheobromin; 8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione; 1-(|A,|A-epoxypropyl)-8-bromotheobromine; 8-bromo-3,7-dimethyl-1-oxiranylmethyl-3,7-dihydro-purine-2,6-dione; 2,6-Dioxo-8-brom-3,7-dimethyl-tetrahydropurin;

8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione Basic Attributes

315.12300

314.00145 g/mol

Characteristics

74.35000

-0.40500

2g/cm3

509.5ºC

262ºC

1.784

1.68E-10mmHg at 25°C

Drug Information

1-(beta,gamma-epoxypropyl)-8-bromotheobromine

Computed Properties

Molecular Weight:315.12
XLogP3:0.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:314.00145
Monoisotopic Mass:314.00145
Topological Polar Surface Area:71
Heavy Atom Count:18
Complexity:407
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 8-bromo-3,7-dimethyl-1-(oxiran-2-ylmethyl)purine-2,6-dione

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