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Substance Name: Propanoic acid, 3-(1H-purin-6-ylthio)- (9CI)
RN: 608-10-6
InChIKey: CSOKIZRBAMNJDO-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-N4-O2-S

Molecular Weight

  • 224.2432
 
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Names and Synonyms

Synonyms

  • 3-(7H-Purin-6-ylthio)propionic acid
  • 6-(2-Carboxyethylthio)purine
  • AI3-50257
  • BRN 0616853
  • NSC 22242
  • Propionic acid, 3-(purin-6-ylthio)-

Systematic Names

  • Propanoic acid, 3-(1H-purin-6-ylthio)- (9CI)
  • Propionic acid, 3-(purin-6-ylthio)-

Registry Numbers

CAS Registry Number

  • 608-10-6

System Generated Number

  • 0000608106

Structure Descriptors

InChI

1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)

InChIKey

CSOKIZRBAMNJDO-UHFFFAOYSA-N

Smiles

c1[nH]c(c-2ncnc2n1)SCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03053,