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Substance Name: 1H-Purine-2,8(3H,7H)-dione
RN: 13230-99-4
InChIKey: PRUGQYWGIVNHEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H4-N4-O2

Molecular Weight

  • 152.113
 
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Names and Synonyms

Synonyms

  • 2,8-Dihydroxypurine
  • Purine-2,8-diol

Systematic Name

  • 1H-Purine-2,8(3H,7H)-dione

Registry Numbers

CAS Registry Number

  • 13230-99-4

System Generated Number

  • 0013230994

Structure Descriptors

InChI

1S/C5H4N4O2/c10-4-6-1-2-3(8-4)9-5(11)7-2/h1H,(H3,6,7,8,9,10,11)

InChIKey

PRUGQYWGIVNHEM-UHFFFAOYSA-N

Smiles

O=c1[nH]c2c([nH]1)cnc(=O)[nH]2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 578mg/kg (578mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,
rat LD50 oral 1820mg/kg (1820mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.010 (none)   EST
Water Solubility 38.5 mg/L 20 EXP
Atmospheric OH Rate Constant 2.87E-11 cm3/molecule-sec 25 EST

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