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Substance Name: 2H,2'H-4,4'-Bithiopyranium, octahydro-1,1'-dimethyl-, bis(methanesulfonate)
RN: 116196-85-1
InChIKey: BRKHQDDLFCKFFZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-S2.2C-H3-O3-S

Molecular Weight

  • 420.6332
 
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Names and Synonyms

Synonym

  • Octahydro-1,1'-dimethyl-2H,2'H-4,4'-bithiopyranium bis(methanesulfonate)

Systematic Names

  • 2H,2'H-4,4'-Bithiopyranium, octahydro-1,1'-dimethyl-, bis(methanesulfonate)
  • 4,4'-Bi-2H-thiopyranium, octahydro-1,1'-dimethyl-, dimethanesulfonate (9CI)

Registry Numbers

CAS Registry Number

  • 116196-85-1

System Generated Number

  • 0116196851

Molecular Formulas

Molecular Formula

  • C12-H24-S2.2C-H3-O3-S

Molecular Formula Fragments

  • C-H3-O3-S
  • C12-H24-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H22S2.2CH4O3S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5(2,3)4/h3,12H,4-10H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

BRKHQDDLFCKFFZ-UHFFFAOYSA-L

Smiles

C[S+]1CCC(CC1)C2=CC[S+](CC2)C.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2758, 1987.