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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(1-fluoro-2-phenylethenyl)-7-methyl-, (E)-
RN: 155271-69-5
InChIKey: MKAJGDAVASKTLC-QBFSEMIESA-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-(1-fluoro-2-phenylethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(alpha-fluorostyryl)-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-69-5

System Generated Number

  • 0155271695

Structure Descriptors

InChI

1S/C18H19FN4O2/c1-4-22-16-14(17(24)23(5-2)18(22)25)21(3)15(20-16)13(19)11-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/b13-11-

InChIKey

MKAJGDAVASKTLC-QBFSEMIESA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C(=C/c3ccccc3)/F)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,