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Substance Name: (E)-8-(3-Bromo-4-methoxystyryl)-1,3-diethylxanthine
RN: 155271-48-0
InChIKey: SBUXPWCFVRLFGI-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Br-N4-O3

Molecular Weight

  • 419.2771
 
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Names and Synonyms

Results Name

  • (E)-8-(3-Bromo-4-methoxystyryl)-1,3-diethylxanthine

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-48-0

System Generated Number

  • 0155271480

Structure Descriptors

InChI

1S/C18H19BrN4O3/c1-4-22-16-15(17(24)23(5-2)18(22)25)20-14(21-16)9-7-11-6-8-13(26-3)12(19)10-11/h6-10H,4-5H2,1-3H3,(H,20,21)/b9-7+

InChIKey

SBUXPWCFVRLFGI-VQHVLOKHSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[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,