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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-,(E)-
RN: 155814-31-6
InChIKey: JVLUIKOGPDMCBU-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N4-O4

Molecular Weight

  • 368.391
 
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Names and Synonyms

Synonym

  • (E)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-diethylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-,(E)-

Registry Numbers

CAS Registry Number

  • 155814-31-6

System Generated Number

  • 0155814316

Structure Descriptors

InChI

1S/C19H20N4O4/c1-3-22-17-16(18(24)23(4-2)19(22)25)20-15(21-17)8-6-12-5-7-13-14(11-12)27-10-9-26-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)/b8-6+

InChIKey

JVLUIKOGPDMCBU-SOFGYWHQSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3ccc4c(c3)OCCO4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,