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Substance Name: Purine, 6-((o-nitrobenzyl)thio)-
RN: 5069-63-6
InChIKey: PKBWMRARESWCBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-N5-O2-S

Molecular Weight

  • 287.3021
 
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Names and Synonyms

Synonyms

  • 6-((o-Nitrobenzyl)thio)purine
  • AX 25
  • BRN 0560171
  • NSC 39334
  • Purine, 6-(o-nitrobenzylthio)-

Systematic Name

  • Purine, 6-((o-nitrobenzyl)thio)-

Registry Numbers

CAS Registry Number

  • 5069-63-6

System Generated Number

  • 0005069636

Structure Descriptors

InChI

1S/C12H9N5O2S/c18-17(19)9-4-2-1-3-8(9)5-20-12-10-11(14-6-13-10)15-7-16-12/h1-4,6-7H,5H2,(H,13,14,15,16)

InChIKey

PKBWMRARESWCBX-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CSc2c3c([nH]cn3)ncn2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 109mg/kg (109mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.