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Substance Name: 9H-Purine-6-thiol, 9-(1,4-dihydroxy-2-butyl)-, hydrochloride
RN: 70661-73-3
InChIKey: UEAKBWYPXWVVPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O2-S.Cl-H

Molecular Weight

  • 276.7467
 
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Names and Synonyms

Synonyms

  • 2-(6-Mercaptopurinyl-9)-1,4-butanediol hydrochloride
  • 9-(1,4-Dihydroxy-2-butyl)-9H-purine-6-thiol hydrochloride
  • 9H-Purine-9-(2-butane-1,4-diol), 6-mercapto-, hydrochloride

Systematic Name

  • 9H-Purine-6-thiol, 9-(1,4-dihydroxy-2-butyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 70661-73-3

System Generated Number

  • 0070661733

Molecular Formulas

Molecular Formula

  • C9-H12-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C9-H12-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12N4O2S.ClH/c14-2-1-6(3-15)13-5-12-7-8(13)10-4-11-9(7)16;/h4-6,14-15H,1-3H2,(H,10,11,16);1H

InChIKey

UEAKBWYPXWVVPQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Russian Pharmacology and Toxicology Vol. 42, Pg. 79, 1979.