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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2-fluorophenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-91-3
InChIKey: UCXCUJKVXMETCY-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-F-N4-O2

Molecular Weight

  • 342.3721
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(2-fluorophenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(2-fluorostyryl)-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-91-3

System Generated Number

  • 0155271913

Structure Descriptors

InChI

1S/C18H19FN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-10-12-8-6-7-9-13(12)19/h6-11H,4-5H2,1-3H3/b11-10+

InChIKey

UCXCUJKVXMETCY-ZHACJKMWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccccc3F)C

Toxicity

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