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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
RN: 151539-53-6
InChIKey: UIORRJVOHAUQSW-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Br-N4-O4

Molecular Weight

  • 491.3833
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Bromo-4,5-dimethoxystyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 151539-53-6

System Generated Number

  • 0151539536

Structure Descriptors

InChI

1S/C22H27BrN4O4/c1-6-10-26-20-19(21(28)27(11-7-2)22(26)29)25(3)18(24-20)9-8-14-12-16(30-4)17(31-5)13-15(14)23/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+

InChIKey

UIORRJVOHAUQSW-CMDGGOBGSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3cc(c(cc3Br)OC)OC)C

Toxicity

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