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Substance Name: 7H-Purine-2,6-diol, 8-methyl, monopotassium salt, dihydrate
RN: 102612-87-3
InChIKey: GCQAWMDJUPTORW-UHFFFAOYSA-M

Molecular Formula

  • C6-H5-N4-O2.K.2H2-O

Molecular Weight

  • 240.2591
 
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Names and Synonyms

Synonyms

  • 2,6-Dihydroxy-8-methyl-7H-purine, monopotassium salt, dihydrate
  • Xanthine, 8-methyl-, monopotassium salt, dihydrate

Systematic Name

  • 7H-Purine-2,6-diol, 8-methyl, monopotassium salt, dihydrate

Registry Numbers

CAS Registry Number

  • 102612-87-3

System Generated Number

  • 0102612873

Molecular Formulas

Molecular Formula

  • C6-H5-N4-O2.K.2H2-O

Molecular Formula Fragments

  • C6-H5-N4-O2
  • COMPONENT
  • H2-O
  • K

Structure Descriptors

InChI

1S/C6H6N4O2.K.2H2O/c1-2-7-3-4(8-2)9-6(12)10-5(3)11;;;/h1H3,(H3,7,8,9,10,11,12);;2*1H2/q;+1;;/p-1

InChIKey

GCQAWMDJUPTORW-UHFFFAOYSA-M

Smiles

Cc1[nH]c2c(n1)nc(nc2O)[O-].O.O.[K+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09190,