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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-7-methyl-, (E)-
RN: 155814-28-1
InChIKey: MAOSHAJGFFNTGN-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N4-O4

Molecular Weight

  • 408.4556
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155814-28-1

System Generated Number

  • 0155814281

Structure Descriptors

InChI

1S/C22H24N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h6-11,14H,1-2,12-13H2,3-5H3/b11-9+

InChIKey

MAOSHAJGFFNTGN-PKNBQFBNSA-N

Smiles

Cn1c(nc2c1c(=O)n(c(=O)n2CC=C)CC=C)/C=C/c3ccc(c(c3)OC)OC

Toxicity

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