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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-, (E)-
RN: 155271-88-8
InChIKey: LLDOHYPCUDSGFI-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Br-N4-O4

Molecular Weight

  • 433.2603
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Bromo-4,5-methylenedioxystyryl)-1,3-diethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-88-8

System Generated Number

  • 0155271888

Structure Descriptors

InChI

1S/C18H17BrN4O4/c1-3-22-16-15(17(24)23(4-2)18(22)25)20-14(21-16)6-5-10-7-12-13(8-11(10)19)27-9-26-12/h5-8H,3-4,9H2,1-2H3,(H,20,21)/b6-5+

InChIKey

LLDOHYPCUDSGFI-AATRIKPKSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cc4c(cc3Br)OCO4

Toxicity

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