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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-, (E)-
RN: 155814-27-0
InChIKey: CPKFTMZBSCSJGD-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N4-O4

Molecular Weight

  • 394.4288
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)xanthine
  • (E)-8-(2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-3,7-dihydro-1H-purine-2,6-dione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155814-27-0

System Generated Number

  • 0155814270

Structure Descriptors

InChI

1S/C21H22N4O4/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)27)22-17(23-19)10-8-14-7-9-15(28-3)16(13-14)29-4/h5-10,13H,1-2,11-12H2,3-4H3,(H,22,23)/b10-8+

InChIKey

CPKFTMZBSCSJGD-CSKARUKUSA-N

Smiles

COc1ccc(cc1OC)/C=C/c2[nH]c3c(n2)n(c(=O)n(c3=O)CC=C)CC=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,