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Substance Name: Theophylline, 8-propylthio-6-thio-
RN: 6493-28-3
InChIKey: ZNLJVMLTVLQCCX-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N4-O-S2

Molecular Weight

  • 270.38
 
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Names and Synonyms

Synonyms

  • 6-Thio-8-propylthiotheophylline
  • BRN 1131320
  • NSC 95868
  • Theophylline, (8-propylthio)-6-thio-
  • Uric acid, 1,3-dimethyl-8-propylthio-6-thio-

Systematic Name

  • Theophylline, 8-propylthio-6-thio-

Registry Numbers

CAS Registry Number

  • 6493-28-3

System Generated Number

  • 0006493283

Structure Descriptors

InChI

1S/C10H14N4OS2/c1-4-5-17-9-11-6-7(12-9)13(2)10(15)14(3)8(6)16/h4-5H2,1-3H3,(H,11,12)

InChIKey

ZNLJVMLTVLQCCX-UHFFFAOYSA-N

Smiles

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

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#04422,