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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
RN: 147700-47-8
InChIKey: IFYQMQURNXKFLL-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O4

Molecular Weight

  • 398.4604
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3,5-Dimethoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3,5-Dimethoxystyryl)-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-

Registry Numbers

CAS Registry Number

  • 147700-47-8

System Generated Number

  • 0147700478

Structure Descriptors

InChI

1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)/b8-7+

InChIKey

IFYQMQURNXKFLL-BQYQJAHWSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3cc(cc(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,