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Substance Name: Inosine, 6-thio- (9CI)
RN: 4988-64-1
InChIKey: NKGPJODWTZCHGF-KQYNXXCUSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C10-H12-N4-O4-S

Molecular Weight

  • 284.295
 
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Names and Synonyms

Synonyms

  • 9H-Purine-6(1H)-thione, 9-ribofuranosyl-
  • Mercaptopurine ribonucleoside
  • Mercaptopurine riboside
  • Ribofuranoside, 9H-purine-6-thiol-9

Systematic Names

  • 6H-Purine-6-thione, 1,9-dihydro-9-ribofuranosyl- (9CI)
  • 9H-Purine-6-thiol, 9-ribofuranosyl-
  • Inosine, 6-thio- (9CI)

Registry Numbers

CAS Registry Number

  • 4988-64-1

Other Registry Number

  • 5270-38-2

System Generated Number

  • 0004988641

Structure Descriptors

InChI

1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1

InChIKey

NKGPJODWTZCHGF-KQYNXXCUSA-N

Smiles

n1(c2c(c([nH]cn2)=S)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 250mg/kg (250mg/kg)   Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
mouse LD50 intraperitoneal 490mg/kg (490mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 16, Pg. 2080, 1968.
mouse LD50 oral 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 1275, 1972.
mouse LD50 subcutaneous 1840mg/kg (1840mg/kg)   Drugs in Japan Vol. 6, Pg. 853, 1982.
rat LD50 intraperitoneal 1240mg/kg (1240mg/kg)   Drugs in Japan Vol. 6, Pg. 853, 1982.
rat LD50 oral 900mg/kg (900mg/kg)   Drugs in Japan Vol. 6, Pg. 853, 1982.
rat LD50 subcutaneous 1180mg/kg (1180mg/kg)   Drugs in Japan Vol. 6, Pg. 853, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.6 (none)   EXP
Water Solubility 2410 mg/L 25 EST
Vapor Pressure 9.83E-19 mm Hg 25 EST
Henry's Law Constant 7.15E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.38E-10 cm3/molecule-sec 25 EST

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