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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-, (E)-
RN: 155271-34-4
InChIKey: VPYHOTGAOJQYRA-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O3

Molecular Weight

  • 382.4614
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(4-Butoxyphenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(4-Butoxystyryl)-1,3-diethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-34-4

System Generated Number

  • 0155271344

Structure Descriptors

InChI

1S/C21H26N4O3/c1-4-7-14-28-16-11-8-15(9-12-16)10-13-17-22-18-19(23-17)24(5-2)21(27)25(6-3)20(18)26/h8-13H,4-7,14H2,1-3H3,(H,22,23)/b13-10+

InChIKey

VPYHOTGAOJQYRA-JLHYYAGUSA-N

Smiles

CCCCOc1ccc(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,