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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-phenoxyphenyl)ethenyl)-, (E)-
RN: 155814-36-1
InChIKey: VVBQOSJASCHAFT-CCEZHUSRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-N4-O3

Molecular Weight

  • 416.4786
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-7-methyl-8-(2-(3-phenoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-7-methyl-8-(3-phenoxystyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155814-36-1

System Generated Number

  • 0155814361

Structure Descriptors

InChI

1S/C24H24N4O3/c1-4-27-22-21(23(29)28(5-2)24(27)30)26(3)20(25-22)15-14-17-10-9-13-19(16-17)31-18-11-7-6-8-12-18/h6-16H,4-5H2,1-3H3/b15-14+

InChIKey

VVBQOSJASCHAFT-CCEZHUSRSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3)Oc4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,