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Substance Name: Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
RN: 7250-42-2
InChIKey: RJVNPFZVXFFCFH-UHFFFAOYSA-M

Molecular Formula

  • C8-H18-Cl-O2-S2.C6-H2-N3-O9-S

Molecular Weight

  • 537.973
 
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Names and Synonyms

Synonyms

  • beta-Chloroethyl beta-(bis(beta-hydroxyethyl)sulfonium)ethyl sulfide picrylsulfonate
  • Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, picrylsulfonate
  • NSC 30026

Systematic Names

  • Sulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate (salt) (8CI)
  • Sulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, salt with 2,4,6-trinitrobenzenesulfonic acid (1:1) (9CI)
  • Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate

Registry Numbers

CAS Registry Number

  • 7250-42-2

System Generated Number

  • 0007250422

Molecular Formulas

Molecular Formula

  • C8-H18-Cl-O2-S2.C6-H2-N3-O9-S

Molecular Formula Fragments

  • C6-H2-N3-O9-S
  • C8-H18-Cl-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C8H18ClO2S2.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/h10-11H,1-8H2;1-2H,(H,16,17,18)/q+1;/p-1

InChIKey

RJVNPFZVXFFCFH-UHFFFAOYSA-M

Smiles

[S+](CCSCCCl)(CCO)CCO.c1(cc(c(c([N+]([O-])=O)c1)S(=O)([O-])=O)[N+]([O-])=O)[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200ug/kg (1.2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
mouse LD50 subcutaneous 2400ug/kg (2.4mg/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 520ug/kg (0.52mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.