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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
RN: 155271-89-9
InChIKey: WPFKQWXMYQDFCI-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-Br-N4-O4

Molecular Weight

  • 447.2871
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Bromo-4,5-methylenedioxystyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-89-9

System Generated Number

  • 0155271899

Structure Descriptors

InChI

1S/C19H19BrN4O4/c1-4-23-17-16(18(25)24(5-2)19(23)26)22(3)15(21-17)7-6-11-8-13-14(9-12(11)20)28-10-27-13/h6-9H,4-5,10H2,1-3H3/b7-6+

InChIKey

WPFKQWXMYQDFCI-VOTSOKGWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc4c(cc3Br)OCO4)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,