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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-
RN: 147700-33-2
InChIKey: UJGDBYAMGXASBC-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O5

Molecular Weight

  • 386.4058
 
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Names and Synonyms

Synonyms

  • (E)-8-(2,3,4-Trimethoxystyryl)caffeine
  • (E)-8-(2-(2,3,4-Trimethoxyphenyl)ethenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 147700-33-2

System Generated Number

  • 0147700332

Structure Descriptors

InChI

1S/C19H22N4O5/c1-21-13(20-17-14(21)18(24)23(3)19(25)22(17)2)10-8-11-7-9-12(26-4)16(28-6)15(11)27-5/h7-10H,1-6H3/b10-8+

InChIKey

UJGDBYAMGXASBC-CSKARUKUSA-N

Smiles

Cn1c(nc2c1c(=O)n(c(=O)n2C)C)/C=C/c3ccc(c(c3OC)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,