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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-phenylethenyl)-, (E)-
RN: 141807-86-5
InChIKey: WDTJCQXFAJILPY-VAWYXSNFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O2

Molecular Weight

  • 352.4356
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dipropyl-7-methyl-8-(2-phenylethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-7-Methyl-1,3-dipropyl-8-styrylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141807-86-5

System Generated Number

  • 0141807865

Structure Descriptors

InChI

1S/C20H24N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/b12-11+

InChIKey

WDTJCQXFAJILPY-VAWYXSNFSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccccc3)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,