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Substance Name: 1,2,4-Triazine-3,5(2H,4H)-dione, 6-((heptafluoropropyl)thio)-2-beta-D-ribofuranosyl-
RN: 113321-61-2
InChIKey: GOPINJPBRDPPMQ-WVQVIYPNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-F7-N3-O6-S

Molecular Weight

  • 445.267
 
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Names and Synonyms

Synonyms

  • 5-Perfluoropropylthio-6-azuridine
  • 6-((Heptafluoropropyl)thio)-2-beta-D-ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
  • BRN 5667477

Systematic Name

  • 1,2,4-Triazine-3,5(2H,4H)-dione, 6-((heptafluoropropyl)thio)-2-beta-D-ribofuranosyl-

Registry Numbers

CAS Registry Number

  • 113321-61-2

System Generated Number

  • 0113321612

Structure Descriptors

InChI

1S/C11H10F7N3O6S/c12-9(13,10(14,15)16)11(17,18)28-6-5(25)19-8(26)21(20-6)7-4(24)3(23)2(1-22)27-7/h2-4,7,22-24H,1H2,(H,19,25,26)/t2-,3-,4-,7-/m1/s1

InChIKey

GOPINJPBRDPPMQ-WVQVIYPNSA-N

Smiles

C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c(=O)[nH]c(=O)c(n2)SC(C(C(F)(F)F)(F)F)(F)F)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 179, 1987.