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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-33-3
InChIKey: GCQNNBDLJOCODU-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O3

Molecular Weight

  • 354.4078
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(3-methoxyphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(3-methoxystyryl)-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-33-3

System Generated Number

  • 0155271333

Structure Descriptors

InChI

1S/C19H22N4O3/c1-5-22-17-16(18(24)23(6-2)19(22)25)21(3)15(20-17)11-10-13-8-7-9-14(12-13)26-4/h7-12H,5-6H2,1-4H3/b11-10+

InChIKey

GCQNNBDLJOCODU-ZHACJKMWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3)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,