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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
RN: 155271-50-4
InChIKey: HOKQBIATLCKFPM-FNORWQNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-Br-N4-O3

Molecular Weight

  • 391.2235
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3-Bromo-4-methoxyphenyl)ethenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3-Bromo-4-methoxystyryl)theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-50-4

System Generated Number

  • 0155271504

Structure Descriptors

InChI

1S/C16H15BrN4O3/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)7-5-9-4-6-11(24-3)10(17)8-9/h4-8H,1-3H3,(H,18,19)/b7-5+

InChIKey

HOKQBIATLCKFPM-FNORWQNLSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)/C=C/c3ccc(c(c3)Br)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,