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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-
RN: 147700-17-2
InChIKey: YJBONLRJFJJWMY-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O4

Molecular Weight

  • 356.38
 
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Names and Synonyms

Synonyms

  • (E)-8-(2,3-Dimethoxystyryl)caffeine
  • (E)-8-(2-(2,3-Dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 147700-17-2

System Generated Number

  • 0147700172

Structure Descriptors

InChI

1S/C18H20N4O4/c1-20-13(10-9-11-7-6-8-12(25-4)15(11)26-5)19-16-14(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b10-9+

InChIKey

YJBONLRJFJJWMY-MDZDMXLPSA-N

Smiles

Cn1c(nc2c1c(=O)n(c(=O)n2C)C)/C=C/c3cccc(c3OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,