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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-fluorophenyl)ethenyl)-7-methyl-, (E)-
RN: 147700-44-5
InChIKey: JTQXOLBECFVKGM-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-F-N4-O2

Molecular Weight

  • 370.4257
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147700-44-5

System Generated Number

  • 0147700445

Structure Descriptors

InChI

1S/C20H23FN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+

InChIKey

JTQXOLBECFVKGM-MDZDMXLPSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3cccc(c3)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,