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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
RN: 142665-36-9
InChIKey: PKXGLVDAOOCYSL-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N4-O5

Molecular Weight

  • 438.4814
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diallyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 142665-36-9

System Generated Number

  • 0142665369

Structure Descriptors

InChI

1S/C23H26N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h7-10,13-14H,1-2,11-12H2,3-6H3/b10-9+

InChIKey

PKXGLVDAOOCYSL-MDZDMXLPSA-N

Smiles

Cn1c(nc2c1c(=O)n(c(=O)n2CC=C)CC=C)/C=C/c3cc(c(c(c3)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,