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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(2-fluorophenyl)ethenyl)-, (E)-
RN: 151539-35-4
InChIKey: YMWWHJJTZUXQAB-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-F-N4-O2

Molecular Weight

  • 356.3989
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dipropyl-8-(2-(2-fluorophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(2-Fluorostyryl)-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-35-4

System Generated Number

  • 0151539354

Structure Descriptors

InChI

1S/C19H21FN4O2/c1-3-11-23-17-16(18(25)24(12-4-2)19(23)26)21-15(22-17)10-9-13-7-5-6-8-14(13)20/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)/b10-9+

InChIKey

YMWWHJJTZUXQAB-MDZDMXLPSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3ccccc3F

Toxicity

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