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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-ethoxyphenyl)ethenyl)-7-methyl-, (E)-
RN: 151539-42-3
InChIKey: LLYRMMNFQINSDE-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O3

Molecular Weight

  • 396.4882
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dipropyl-8-(2-(4-ethoxyphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(4-Ethoxystyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-ethoxyphenyl)ethenyl)-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 151539-42-3

System Generated Number

  • 0151539423

Structure Descriptors

InChI

1S/C22H28N4O3/c1-5-14-25-20-19(21(27)26(15-6-2)22(25)28)24(4)18(23-20)13-10-16-8-11-17(12-9-16)29-7-3/h8-13H,5-7,14-15H2,1-4H3/b13-10+

InChIKey

LLYRMMNFQINSDE-JLHYYAGUSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccc(cc3)OCC)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,