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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
RN: 151539-48-9
InChIKey: ZHAMJBDOFNMBFM-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Br-N4-O3

Molecular Weight

  • 447.3307
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3-Bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3-Bromo-4-methoxystyryl)-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-48-9

System Generated Number

  • 0151539489

Structure Descriptors

InChI

1S/C20H23BrN4O3/c1-4-10-24-18-17(19(26)25(11-5-2)20(24)27)22-16(23-18)9-7-13-6-8-15(28-3)14(21)12-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,23)/b9-7+

InChIKey

ZHAMJBDOFNMBFM-VQHVLOKHSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3ccc(c(c3)Br)OC

Toxicity

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