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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
RN: 151539-62-7
InChIKey: WFCADBVZUZQONR-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O4

Molecular Weight

  • 396.4446
 
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Names and Synonyms

Synonym

  • (E)-7-Methyl-8-(3,4-methylenedioxystyryl)-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-62-7

System Generated Number

  • 0151539627

Structure Descriptors

InChI

1S/C21H24N4O4/c1-4-10-24-19-18(20(26)25(11-5-2)21(24)27)23(3)17(22-19)9-7-14-6-8-15-16(12-14)29-13-28-15/h6-9,12H,4-5,10-11,13H2,1-3H3/b9-7+

InChIKey

WFCADBVZUZQONR-VQHVLOKHSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccc4c(c3)OCO4)C

Toxicity

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