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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
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-2InChIKey
BRKHQDDLFCKFFZ-UHFFFAOYSA-LSmiles
C[S+]1CCC(CC1)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. |