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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
RN: 155271-30-0
InChIKey: HIPBKGNBKRRCET-FMIVXFBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O3

Molecular Weight

  • 368.4346
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(4-propoxystyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-30-0

System Generated Number

  • 0155271300

Structure Descriptors

InChI

1S/C20H24N4O3/c1-4-13-27-15-10-7-14(8-11-15)9-12-16-21-17-18(22-16)23(5-2)20(26)24(6-3)19(17)25/h7-12H,4-6,13H2,1-3H3,(H,21,22)/b12-9+

InChIKey

HIPBKGNBKRRCET-FMIVXFBMSA-N

Smiles

CCCOc1ccc(cc1)/C=C/c2[nH]c3c(n2)n(c(=O)n(c3=O)CC)CC

Toxicity

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