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Substance Name: Theophylline, 8-methylthio-6-thio-
RN: 4791-34-8
InChIKey: KBRBLIPQXNCIFS-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-N4-O-S2

Molecular Weight

  • 242.326
 
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Names and Synonyms

Synonyms

  • 6-Thio-8-methylthiotheophylline
  • BRN 1125484
  • NSC 95857
  • Theophylline, (8-methylthio)-6-thio-
  • Uric acid, 1,3-dimethyl-8-methylthio-6-thio-

Systematic Name

  • Theophylline, 8-methylthio-6-thio-

Registry Numbers

CAS Registry Number

  • 4791-34-8

System Generated Number

  • 0004791348

Structure Descriptors

InChI

1S/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(14)12(2)8(11)13/h1-3H3,(H,9,10)

InChIKey

KBRBLIPQXNCIFS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04420,