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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-
RN: 142665-38-1
InChIKey: IESVYUIVHGVRBK-VAWYXSNFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N4-O5

Molecular Weight

  • 470.5666
 
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Names and Synonyms

Synonym

  • (E)-1,3-Dibutyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-

Registry Numbers

CAS Registry Number

  • 142665-38-1

System Generated Number

  • 0142665381

Structure Descriptors

InChI

1S/C25H34N4O5/c1-7-9-13-28-23-21(24(30)29(25(28)31)14-10-8-2)27(3)20(26-23)12-11-17-15-18(32-4)22(34-6)19(16-17)33-5/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+

InChIKey

IESVYUIVHGVRBK-VAWYXSNFSA-N

Smiles

CCCCn1c2c(c(=O)n(c1=O)CCCC)n(c(n2)/C=C/c3cc(c(c(c3)OC)OC)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,