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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-, (E)-
RN: 155271-84-4
InChIKey: MWFJUQNGMQBODH-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Br-N4-O2

Molecular Weight

  • 389.2513
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3-Bromophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3-Bromostyryl)-1,3-diethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-84-4

System Generated Number

  • 0155271844

Structure Descriptors

InChI

1S/C17H17BrN4O2/c1-3-21-15-14(16(23)22(4-2)17(21)24)19-13(20-15)9-8-11-6-5-7-12(18)10-11/h5-10H,3-4H2,1-2H3,(H,19,20)/b9-8+

InChIKey

MWFJUQNGMQBODH-CMDGGOBGSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cccc(c3)Br

Toxicity

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