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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-, (E)-
RN: 155272-01-8
InChIKey: YYSFNPLIUJLNOZ-MDZDMXLPSA-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-(3-fluoro-2-methylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155272-01-8

System Generated Number

  • 0155272018

Structure Descriptors

InChI

1S/C18H19FN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)20-14(21-16)10-9-12-7-6-8-13(19)11(12)3/h6-10H,4-5H2,1-3H3,(H,20,21)/b10-9+

InChIKey

YYSFNPLIUJLNOZ-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cccc(c3C)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,