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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
RN: 155271-85-5
InChIKey: JJUJLNZUNIJSHZ-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Br-N4-O2

Molecular Weight

  • 403.2781
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3-Bromophenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-85-5

System Generated Number

  • 0155271855

Structure Descriptors

InChI

1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+

InChIKey

JJUJLNZUNIJSHZ-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3)Br)C

Toxicity

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