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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-27-5
InChIKey: NHYDMTSWVYYMOZ-ZHACJKMWSA-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-Diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(2,5-Dimethylstyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-27-5

System Generated Number

  • 0155271275

Structure Descriptors

InChI

1S/C20H24N4O2/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(5)16(21-18)11-10-15-12-13(3)8-9-14(15)4/h8-12H,6-7H2,1-5H3/b11-10+

InChIKey

NHYDMTSWVYYMOZ-ZHACJKMWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc(ccc3C)C)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,