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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2-fluorophenyl)ethenyl)-, (E)-
RN: 155271-90-2
InChIKey: GQASYARGKGWOGS-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-F-N4-O2

Molecular Weight

  • 328.3453
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-90-2

System Generated Number

  • 0155271902

Structure Descriptors

InChI

1S/C17H17FN4O2/c1-3-21-15-14(16(23)22(4-2)17(21)24)19-13(20-15)10-9-11-7-5-6-8-12(11)18/h5-10H,3-4H2,1-2H3,(H,19,20)/b10-9+

InChIKey

GQASYARGKGWOGS-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[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,