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Substance Name: Benzenemethanol, 4-bromo-alpha-((1H-purin-6-ylthio)methyl)-
RN: 106609-68-1
InChIKey: AJWAPHOSPGHEJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Br-N4-O-S

Molecular Weight

  • 351.2269
 
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Names and Synonyms

Synonyms

  • 4-Bromo-alpha-((1H-purin-6-ylthio)methyl)benzenemethanol
  • BRN 5603989

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106609-68-1

System Generated Number

  • 0106609681

Structure Descriptors

InChI

1S/C13H11BrN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7,10,19H,5H2,(H,15,16,17,18)

InChIKey

AJWAPHOSPGHEJW-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(CSc2c-3ncnc3nc[nH]2)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1400mg/kg (1400mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 722, 1986.