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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
RN: 147700-32-1
InChIKey: GAQQSHXBDRDGGZ-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O5

Molecular Weight

  • 372.379
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(2,3,4-Trimethoxystyryl)theophylline

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147700-32-1

System Generated Number

  • 0147700321

Structure Descriptors

InChI

1S/C18H20N4O5/c1-21-16-13(17(23)22(2)18(21)24)19-12(20-16)9-7-10-6-8-11(25-3)15(27-5)14(10)26-4/h6-9H,1-5H3,(H,19,20)/b9-7+

InChIKey

GAQQSHXBDRDGGZ-VQHVLOKHSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)/C=C/c3ccc(c(c3OC)OC)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,