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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-
RN: 155271-21-9
InChIKey: MGVNZUBFVRQANR-VQHVLOKHSA-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-(2,4-Dimethoxystyryl)caffeine
  • (E)-8-(2-(2,4-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-(2,4-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-21-9

System Generated Number

  • 0155271219

Structure Descriptors

InChI

1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)10-13(11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+

InChIKey

MGVNZUBFVRQANR-VQHVLOKHSA-N

Smiles

Cn1c(nc2c1c(=O)n(c(=O)n2C)C)/C=C/c3ccc(cc3OC)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,