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Substance Name: Bromotheophylline
RN: 10381-75-6
UNII: FZG87K1MQ6
InChIKey: SKTFQHRVFFOHTQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br-N4-O2

Molecular Weight

  • 259.0623
 
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Names and Synonyms

Name of Substance

  • Bromotheophylline

Synonyms

  • 8-Bromotheophylline
  • Bromotheophylline
  • EINECS 233-846-6
  • NSC 164940
  • Theophylline, 8-bromo-
  • UNII-FZG87K1MQ6

Systematic Names

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-
  • 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-
  • 8-Bromotheophylline

Registry Numbers

CAS Registry Number

  • 10381-75-6

FDA UNII

  • FZG87K1MQ6

System Generated Number

  • 0010381756

Structure Descriptors

InChI

1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChIKey

SKTFQHRVFFOHTQ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)Br