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Substance Name: Theophylline, 8-nonylthio-6-thio-
RN: 4791-41-7
InChIKey: SXFSVWKNNBMDFO-UHFFFAOYSA-N

Molecular Formula

  • C16-H26-N4-O-S2

Molecular Weight

  • 354.54
 
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Names and Synonyms

Synonyms

  • 6-Thio-8-(N-nonylthio)theophylline
  • 6-Thio-8-n-nonylthiotheophylline
  • BRN 1151759
  • NSC 95919
  • Theophylline, (8-nonylthio)-6-thio-
  • Uric acid, 1,3-dimethyl-8-nonylthio-6-thio-

Systematic Name

  • Theophylline, 8-nonylthio-6-thio-

Registry Numbers

CAS Registry Number

  • 4791-41-7

System Generated Number

  • 0004791417

Structure Descriptors

InChI

1S/C16H26N4OS2/c1-4-5-6-7-8-9-10-11-23-15-17-12-13(18-15)19(2)16(21)20(3)14(12)22/h4-11H2,1-3H3,(H,17,18)

InChIKey

SXFSVWKNNBMDFO-UHFFFAOYSA-N

Smiles

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

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#04430,