Benzohexonium
Basic information
- CAS
971-60-8- Standard SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1- InChIKey
KQHXGIXCFWNHSW-UHFFFAOYSA-L- Molecular formula
- C24H40N2O6S2
- Average molar mass
- 516.7 g/mol
- Monoisotopic mass
- 516.23277935
Overview
RN given refers to dibenzenesulfonate salt; see also hexamethonium: 60-26-4
Names & identifiers
- Preferred name
- Benzohexonium
- IUPAC
- benzenesulfonate;trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
- English name
- benzohexonium
- Molecular formula
- C12H30N2.2C6H5O3S
- Molecular weight
- 516.72
Names & synonyms
BenzohexoniumV26UVZ0360DTXSID60242702N,N,N,N',N',N'-Hexamethyl-1,6-hexanediaminium, dibenzenesulfonateRefChem:118282DTXCID50165193Benzohexamethonium971-60-8Hexamethylenebis(trimethylammonium) dibenzenesulfonateUNII-V26UVZ03601,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibenzenesulfonateHEXAMETHONIUM BESYLATE
Show more names
hexa-N-methyl-N,N'-hexanediyl-di-ammonium salt
HEXAMETHONIUM BENZOSULFONATEAMMONIUM, HEXAMETHYLENEBIS(TRIMETHYL-, DIBENZENESULFONATEQ272914391,6-HEXANEDIAMINIUM, N1,N1,N1,N6,N6,N6-HEXAMETHYL-, BENZENESULFONATE (1:2)N~1~,N~1~,N~1~,N~6~,N~6~,N~6~-Hexamethylhexane-1,6-bis(aminium) bisbenzenesulfonate
Database identifiers
- CAS
971-60-8- PubChem CID
- 13776
- DTXSID
DTXSID60242702- UNII
- V26UVZ0360
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- FDA UNII
- 26 UVZ0360 · V26UVZ0360
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery.
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Compound notes
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