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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
RN: 147700-16-1
InChIKey: FISHUKYNBKDWJR-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N4-O4

Molecular Weight

  • 342.3532
 
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Names and Synonyms

Synonyms

  • (E)-8-(2,3-Dimethoxystyryl)theophylline
  • (E)-8-(2-(2,3-Dimethoxyphenyl)ethenyl)-1,3-dimethyl-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-dimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 147700-16-1

System Generated Number

  • 0147700161

Structure Descriptors

InChI

1S/C17H18N4O4/c1-20-15-13(16(22)21(2)17(20)23)18-12(19-15)9-8-10-6-5-7-11(24-3)14(10)25-4/h5-9H,1-4H3,(H,18,19)/b9-8+

InChIKey

FISHUKYNBKDWJR-CMDGGOBGSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)/C=C/c3cccc(c3OC)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,