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Substance Name: Theophylline, 8-decylthio-2-thio-
RN: 6466-10-0
InChIKey: QHQKXMOBJVNMNT-UHFFFAOYSA-N

Molecular Formula

  • C17-H28-N4-O-S2

Molecular Weight

  • 368.567
 
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Names and Synonyms

Synonyms

  • 2-Thio-8-N-(decylthio)theophylline
  • 2-Thio-8-n-decylthiotheophylline
  • BRN 1154406
  • NSC 95923
  • Uric acid, 8-decylthio-1,3-dimethyl-2-thio-

Systematic Name

  • Theophylline, 8-decylthio-2-thio-

Registry Numbers

CAS Registry Number

  • 6466-10-0

System Generated Number

  • 0006466100

Structure Descriptors

InChI

1S/C17H28N4OS2/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(23)21(3)15(13)22/h4-12H2,1-3H3,(H,18,19)

InChIKey

QHQKXMOBJVNMNT-UHFFFAOYSA-N

Smiles

[nH]1c(nc2n(C)c(=S)n(C)c(=O)c12)SCCCCCCCCCC

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#04437,