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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-, (E)-, hydrate
RN: 151539-61-6
InChIKey: ROSVNDDXKKNTFG-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O4.H2-O

Molecular Weight

  • 382.4178
 
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Names and Synonyms

Synonym

  • (E)-8-(3,4-Methylenedioxystyryl)-1,3-dipropylxanthine hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-61-6

System Generated Number

  • 0151539616

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O4.H2-O

Molecular Formula Fragments

  • C20-H22-N4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22N4O4/c1-3-9-23-18-17(19(25)24(10-4-2)20(23)26)21-16(22-18)8-6-13-5-7-14-15(11-13)28-12-27-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22)/b8-6+

InChIKey

ROSVNDDXKKNTFG-SOFGYWHQSA-N

Smiles

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

Toxicity

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