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Substance Name: 6-Methylthiopurine
RN: 50-66-8
UNII: 6V404DV25O
InChIKey: UIJIQXGRFSPYQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N4-S

Molecular Weight

  • 166.207
 
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Names and Synonyms

Name of Substance

  • 6-Methylthiopurine

Synonyms

  • 1H-Purine, 6-(methylthio)-
  • 6-(Methylthio)purine
  • 6-Methyl MP
  • 6-Methylmercaptopurine
  • AI3-26418
  • EINECS 200-057-3
  • NSC 20105
  • S-Methyl-6-mercaptopurine
  • SQ 8343
  • UNII-6V404DV25O

Systematic Names

  • 1H-Purine, 6-(methylthio)- (9CI)
  • 6-(Methylthio)purine
  • Purine, 6-(methylthio)-

Registry Numbers

CAS Registry Number

  • 50-66-8

FDA UNII

  • 6V404DV25O

System Generated Number

  • 0000050668

Structure Descriptors

InChI

1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)

InChIKey

UIJIQXGRFSPYQW-UHFFFAOYSA-N

Smiles

c12c([nH]cn2)ncnc1SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 94mg/kg (94mg/kg) GASTROINTESTINAL: OTHER CHANGES Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
mouse LD50 parenteral 115mg/kg (115mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.240 (none)   EST
Water Solubility 769 mg/L 20 EXP
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.