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Substance Name: 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride
RN: 70661-74-4
InChIKey: YCNJCXRHOINSIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-N4-O2-S.Cl-H

Molecular Weight

  • 262.7199
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride
  • 2-(6-Mercaptopurinyl-9)-1,3-propanediol hydrochloride
  • 6H-Purine-6-thione, 1,9-dihydro-9-(2-hydroxy-1-(hydroxymethyl)ethyl)-, monohydrochloride
  • 9-(1,3-Dihydroxy-2-propyl)-9H-purine-6-thiol hydrochloride
  • 9H-Purine-9-(2-propane-1,3-diol), 6-mercapto-, hydrochloride

Systematic Name

  • 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 70661-74-4

System Generated Number

  • 0070661744

Molecular Formulas

Molecular Formula

  • C8-H10-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C8-H10-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H10N4O2S.ClH/c13-1-5(2-14)12-4-11-6-7(12)9-3-10-8(6)15;/h3-5,13-14H,1-2H2,(H,9,10,15);1H

InChIKey

YCNJCXRHOINSIV-UHFFFAOYSA-N

Smiles

c1[nH]c(=S)c2c(n1)n(cn2)C(CO)CO.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 382, 1979.