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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)-1,3-dipropyl-, (E)-
RN: 151539-58-1
InChIKey: VSCZNWZJZDPSTO-SOFGYWHQSA-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)-8-(2-(1,4-Benzodioxan-6-yl)vinyl)-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-58-1

System Generated Number

  • 0151539581

Structure Descriptors

InChI

1S/C21H24N4O4/c1-3-9-24-19-18(20(26)25(10-4-2)21(24)27)22-17(23-19)8-6-14-5-7-15-16(13-14)29-12-11-28-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,23)/b8-6+

InChIKey

VSCZNWZJZDPSTO-SOFGYWHQSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3ccc4c(c3)OCCO4

Toxicity

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