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Substance Name: Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate
RN: 64036-93-7
InChIKey: BRNKVYXWOOGEPH-UHFFFAOYSA-M

Molecular Formula

  • C8-H19-O3-S2.C6-H2-N3-O9-S

Molecular Weight

  • 519.527
 
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Names and Synonyms

Synonyms

  • beta-Hydroxyethyl-beta-(bis(beta-hydroxyethyl)sulfonium)ethyl suflide picrylsulfonate
  • Bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethylsulfonium picrylsulfonate

Systematic Name

  • Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate

Registry Numbers

CAS Registry Number

  • 64036-93-7

System Generated Number

  • 0064036937

Molecular Formulas

Molecular Formula

  • C8-H19-O3-S2.C6-H2-N3-O9-S

Molecular Formula Fragments

  • C6-H2-N3-O9-S
  • C8-H19-O3-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C8H19O3S2.C6H3N3O9S/c9-1-4-12-5-8-13(6-2-10)7-3-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h9-11H,1-8H2;1-2H,(H,16,17,18)/q+1;/p-1

InChIKey

BRNKVYXWOOGEPH-UHFFFAOYSA-M

Smiles

[S+](CCSCCO)(CCO)CCO.c1c(c(c(cc1N(=O)=O)N(=O)=O)S(=O)(=O)[O-])N(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67mg/kg (67mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
mouse LD50 subcutaneous 86mg/kg (86mg/kg) GASTROINTESTINAL: OTHER CHANGES

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

ENDOCRINE: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rat LD50 intravenous 36mg/kg (36mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.