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Substance Name: Methylthioinosine
RN: 342-69-8
UNII: Y5G39SHR0V
InChIKey: ZDRFDHHANOYUTE-IOSLPCCCSA-N

Note

  • 6-(Methylthio)-9-beta-D-ribofuranosylpurine. An analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position.

Molecular Formula

  • C11-H14-N4-O4-S

Molecular Weight

  • 298.322
 

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Methylthioinosine

MeSH Heading

  • Methylthioinosine

Synonyms

  • 4-26-00-01992 (Beilstein Handbook Reference)
  • 6-(Methylthio)purine ribonucleoside
  • 6-Methyl MP riboside
  • 6-Methyl MP-riboside
  • 6-Methyl-9-ribofuranosylpurine-6-thiol
  • 6-Methylmercaptopurine
  • 6-Methylmercaptopurine ribonucleoside
  • 6-Methylmercaptopurine riboside
  • 6-Methylthioinosine
  • 6-Methylthiopurine riboside
  • 6-MMPR
  • 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-
  • 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-, dihydrate
  • 9H-Purine, 6-(methylthio)-9beta-D-ribofuranosyl-
  • AI3-50295
  • beta-D-Ribosyl-6-methylthiopurine
  • BRN 0042871
  • EINECS 206-442-2
  • Inosine, 6-(methylthio)-
  • Me6MPR
  • Methylmercaptopurine riboside
  • Methylthioinosine
  • MMPR
  • NCI-C04784
  • NSC 40774
  • Purine-6-thiol, 6-methyl-9-ribofuranosyl-
  • SQ 21977
  • UNII-Y5G39SHR0V

Systematic Names

  • 6-(Methylthio)-9-beta-D-ribofuranosyl-9H-purine
  • 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-
  • 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-, dihydrate
  • Inosine, 6-S-methyl-6-thio-

Registry Numbers

CAS Registry Number

  • 342-69-8

FDA UNII

  • Y5G39SHR0V

System Generated Number

  • 0000342698

Structure Descriptors

InChI

1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1

InChIKey

ZDRFDHHANOYUTE-IOSLPCCCSA-N

Smiles

n1(c2c(c(ncn2)SC)nc1)[C@@H]1O[C@H](CO)[C@H]([C@H]1O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 20mg/kg (20mg/kg)   Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
mouse LD50 intraperitoneal 137mg/kg (137mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 65mg/kg (65mg/kg)   Archives of Pathology. Vol. 86, Pg. 395, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 164 deg C   EXP
log P (octanol-water) 0.09 (none)   EXP
Water Solubility 515 mg/L 25 EST
Vapor Pressure 5.70E-15 mm Hg 25 EST
Henry's Law Constant 3.57E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.39E-10 cm3/molecule-sec 25 EST

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