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Product Name: Benzohexonium (CAS NO.971-60-8)
Molecular Formula: C24H40N2O6S2
Molecular Weight: 516.7142g/mol
Mol File: 971-60-8.mol
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Benzohexonium (CAS NO.971-60-8):
IUPAC Name: benzenesulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
Canonical SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C12H30N2.2C6H6O3S/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*7-10(8,9)6-4-2-1-3-5-6/h7-12H2,1-6H3;2*1-5H,(H,7,8,9)/q+2;;/p-2
InChIKey: KQHXGIXCFWNHSW-UHFFFAOYSA-L
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 166mg/kg (166mg/kg) | Russian Pharmacology and Toxicology Vol. 31, Pg. 53, 1968. |
Poison by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
Benzohexonium , its CAS NO. is 971-60-8, the synonyms are Hexamethylenebis(trimethylammonium) dibenzenesulfonate ; 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibenzenesulfonate (9CI) ; Ammonium, hexamethylenebis(trimethyl-, dibenzenesulfonate ; N,N,N,N',N',N'-Hexamethyl-1,6-hexanediaminium, dibenzenesulfonate .