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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chloro-4-fluorophenyl)ethenyl)-1,3-diethyl-, (E)-
RN: 155271-97-9
InChIKey: QIQZNWOUFZOWMT-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-Cl-F-N4-O2

Molecular Weight

  • 362.7904
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(3-Chloro-4-fluorophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3-Chloro-4-fluorostyryl)-1,3-diethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-97-9

System Generated Number

  • 0155271979

Structure Descriptors

InChI

1S/C17H16ClFN4O2/c1-3-22-15-14(16(24)23(4-2)17(22)25)20-13(21-15)8-6-10-5-7-12(19)11(18)9-10/h5-9H,3-4H2,1-2H3,(H,20,21)/b8-6+

InChIKey

QIQZNWOUFZOWMT-SOFGYWHQSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3ccc(c(c3)Cl)F

Toxicity

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