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Substance Name: Purine, 6-((p-fluorobenzyl)thio)-
RN: 3798-88-7
InChIKey: KKAXVTODRVIGGR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-F-N4-S

Molecular Weight

  • 260.2951
 
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Names and Synonyms

Synonyms

  • 4-26-00-01986 (Beilstein Handbook Reference)
  • 6-((p-Fluorobenzyl)thio)purine
  • AI3-50235
  • BRN 0025027
  • NSC 18399

Systematic Names

  • 1H-Purine, 6-(((4-fluorophenyl)methyl)thio)-
  • Purine, 6-((p-fluorobenzyl)thio)-

Registry Numbers

CAS Registry Number

  • 3798-88-7

System Generated Number

  • 0003798887

Structure Descriptors

InChI

1S/C12H9FN4S/c13-9-3-1-8(2-4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)

InChIKey

KKAXVTODRVIGGR-UHFFFAOYSA-N

Smiles

c1cc(ccc1CSc2c3c([nH]cn3)ncn2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 137mg/kg (137mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.