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Substance Name: Theophylline, 8-butylthio-6-thio-
RN: 6493-29-4
InChIKey: JTKHAEGWWHAFTM-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-N4-O-S2

Molecular Weight

  • 284.406
 
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Names and Synonyms

Synonyms

  • 6-Thio-8-n-butylthiotheophylline
  • BRN 1219960
  • NSC 95883
  • Theophylline, 8-butylthio-6-thio-
  • Uric acid, 8-butylthio-1,3-dimethyl-6-thio-

Systematic Name

  • Theophylline, 8-butylthio-6-thio-

Registry Numbers

CAS Registry Number

  • 6493-29-4

System Generated Number

  • 0006493294

Structure Descriptors

InChI

1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(16)15(3)9(7)17/h4-6H2,1-3H3,(H,12,13)

InChIKey

JTKHAEGWWHAFTM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04424,