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Substance Name: Theophylline, 2,6-dithio-8-methylthio-
RN: 6466-20-2
InChIKey: OSNIQHVTMKAFJZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-N4-S3

Molecular Weight

  • 258.393
 
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Names and Synonyms

Synonyms

  • 2,6-Dithio-8-methyltheophylline
  • BRN 1125485
  • NSC 95860
  • Theophylline, 2,6-dithio-(8-methylthio)-
  • Uric acid, 1,3-dimethyl-2,6-dithio-8-methylthio-

Systematic Names

  • Theophylline, 2,6-dithio-8-methylthio-
  • Theophylline, 8-(methylthio)dithio- (8CI)

Registry Numbers

CAS Registry Number

  • 6466-20-2

System Generated Number

  • 0006466202

Structure Descriptors

InChI

1S/C8H10N4S3/c1-11-5-4(9-7(10-5)15-3)6(13)12(2)8(11)14/h1-3H3,(H,9,10)

InChIKey

OSNIQHVTMKAFJZ-UHFFFAOYSA-N

Smiles

c12c(c(n(C)c(n1C)=S)=S)nc([nH]2)SC

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#04442,