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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-, (E)-
RN: 141807-94-5
InChIKey: YADAAFDDAMXDEJ-FMIVXFBMSA-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)-1,3-Dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(4-Methoxystyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141807-94-5

System Generated Number

  • 0141807945

Structure Descriptors

InChI

1S/C21H26N4O3/c1-5-13-24-19-18(20(26)25(14-6-2)21(24)27)23(3)17(22-19)12-9-15-7-10-16(28-4)11-8-15/h7-12H,5-6,13-14H2,1-4H3/b12-9+

InChIKey

YADAAFDDAMXDEJ-FMIVXFBMSA-N

Smiles

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