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Substance Name: Theophylline, 8-propylthio-2-thio-
RN: 4791-36-0
InChIKey: CSHMGSIYEGLDTE-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N4-O-S2

Molecular Weight

  • 270.38
 
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Names and Synonyms

Synonyms

  • 2-Thio-8-propylthiotheophylline
  • BRN 1131321
  • NSC 95869
  • Theophylline, (8-propylthio)-2-thio-
  • Uric acid, 1,3-dimethyl-8-propylthio-2-thio-

Systematic Name

  • Theophylline, 8-propylthio-2-thio-

Registry Numbers

CAS Registry Number

  • 4791-36-0

System Generated Number

  • 0004791360

Structure Descriptors

InChI

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

InChIKey

CSHMGSIYEGLDTE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04418,