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Substance Name: Sulfonium, thiodiethylenebis(bis(2-hydroxyethyl)-, dipicrylsulfonate
RN: 64036-81-3
InChIKey: GDYLWHSDBKHQBY-UHFFFAOYSA-L

Molecular Formula

  • C12-H28-O4-S3.2C6-H2-N3-O9-S

Molecular Weight

  • 916.867
 
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Names and Synonyms

Synonyms

  • Bis(bis(beta-hydroxyethyl)sulfoniumethyl) sulfide dipicrylsulfonate
  • Thiodiethylenebis(bis(2-hydroxyethyl)sulfonium) dipicrylsulfonate

Systematic Name

  • Sulfonium, thiodiethylenebis(bis(2-hydroxyethyl)-, dipicrylsulfonate

Registry Numbers

CAS Registry Number

  • 64036-81-3

System Generated Number

  • 0064036813

Molecular Formulas

Molecular Formula

  • C12-H28-O4-S3.2C6-H2-N3-O9-S

Molecular Formula Fragments

  • C12-H28-O4-S3
  • C6-H2-N3-O9-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H28O4S3.2C6H3N3O9S/c13-1-7-18(8-2-14)11-5-17-6-12-19(9-3-15)10-4-16;2*10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h13-16H,1-12H2;2*1-2H,(H,16,17,18)/q+2;;/p-2

InChIKey

GDYLWHSDBKHQBY-UHFFFAOYSA-L

Smiles

C([S+](CCO)CCSCC[S+](CCO)CCO)CO.c1(N(=O)=O)cc(cc(N(=O)=O)c1S(=O)(=O)[O-])N(=O)=O.c1(N(=O)=O)cc(cc(N(=O)=O)c1S(=O)(=O)[O-])N(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 50mg/kg (50mg/kg) GASTROINTESTINAL: OTHER CHANGES

ENDOCRINE: OTHER CHANGES

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.