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Substance Name: Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-
RN: 106609-67-0
InChIKey: UWWSLTGDMPVMCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-N5-O3-S

Molecular Weight

  • 317.3279
 
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Names and Synonyms

Synonyms

  • 4-Nitro-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol
  • BRN 5630219

Systematic Name

  • Benzenemethanol, 4-nitro-alpha-((1H-purin-6-ylthio)methyl)-

Registry Numbers

CAS Registry Number

  • 106609-67-0

System Generated Number

  • 0106609670

Structure Descriptors

InChI

1S/C13H11N5O3S/c19-10(8-1-3-9(4-2-8)18(20)21)5-22-13-11-12(15-6-14-11)16-7-17-13/h1-4,6-7,10,19H,5H2,(H,14,15,16,17)

InChIKey

UWWSLTGDMPVMCO-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CSc2c-3ncnc3nc[nH]2)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1780mg/kg (1780mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 722, 1986.