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Substance Name: Xanthobine
RN: 10381-82-5
InChIKey: YRLRORFORQUTKS-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Br-N4-O2

Molecular Weight

  • 273.089
 
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Names and Synonyms

Name of Substance

  • Xanthobine

Synonyms

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-
  • 8-Bromocaffeine
  • 8-Caffeine bromide
  • Caffeine, 8-bromo-
  • NSC 11255
  • Xanthobin

Systematic Name

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-

Registry Numbers

CAS Registry Number

  • 10381-82-5

System Generated Number

  • 0010381825

Structure Descriptors

InChI

1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

InChIKey

YRLRORFORQUTKS-UHFFFAOYSA-N

Smiles

n1(C)c(=O)n(c2nc(n(c2c1=O)C)Br)C