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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dihydroxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
RN: 151539-46-7
InChIKey: BKNSCOIMILYNDF-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O4

Molecular Weight

  • 384.4336
 
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Names and Synonyms

Synonym

  • (E)-8-(3,4-Dihydroxystyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dihydroxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 151539-46-7

System Generated Number

  • 0151539467

Structure Descriptors

InChI

1S/C20H24N4O4/c1-4-10-23-18-17(19(27)24(11-5-2)20(23)28)22(3)16(21-18)9-7-13-6-8-14(25)15(26)12-13/h6-9,12,25-26H,4-5,10-11H2,1-3H3/b9-7+

InChIKey

BKNSCOIMILYNDF-VQHVLOKHSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccc(c(c3)O)O)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,