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Substance Name: Xanthine, 8-(ethylthio)-
RN: 73840-29-6
InChIKey: SYTLDXNPGBQYRC-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2-S

Molecular Weight

  • 212.2322
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(ethylthio)-
  • 2-26-00-00322 (Beilstein Handbook Reference)
  • 8-(Ethylthio)xanthine
  • BRN 0212370
  • NSC 81499
  • Xanthine, 8-(ethylthio)-

Systematic Names

  • 1H-Purine-2,6-dione, 8-(ethylthio)-3,7-dihydro- (9CI)
  • Xanthine, 8-(ethylthio)-

Registry Numbers

CAS Registry Number

  • 73840-29-6

System Generated Number

  • 0073840296

Structure Descriptors

InChI

1S/C7H8N4O2S/c1-2-14-7-8-3-4(10-7)9-6(13)11-5(3)12/h2H2,1H3,(H3,8,9,10,11,12,13)

InChIKey

SYTLDXNPGBQYRC-UHFFFAOYSA-N

Smiles

CCSc1[nH]c2c(n1)c(nc(n2)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02449,