Hexamethonium Chloride
Basic information
- CAS
60-25-3- Standard SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Cl-].[Cl-]- InChIKey
PYIHTIJNCRKDBV-UHFFFAOYSA-L- Molecular formula
- C12H30Cl2N2
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 272.1786044
Overview
See also: Hexamethonium (has active moiety); Hexamethonium Bromide (related); Hexamethonium Iodide (related).
Names & identifiers
- Preferred name
- Hexamethonium Chloride
- IUPAC
- trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dichloride
- English name
- HEXAMETHONIUM CHLORIDE
- Molecular formula
- C12H30Cl2N2
- Molecular weight
- 273.29
Names & synonyms
Hexamethonium chloride60-25-3Hexamethonium dichlorideHestrium chlorideDTXSID3044700TIV4Q933FUHexamethylene(bistrimethylammonium)chlorideN,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dichlorideDTXCID1024700NSC-216431,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2)NSC21643
Show more names
hexonchloridehiohexchloridehexonechlorideesomidchloridemethiumchloridebistriumchloridehestriumchloride
Chloride, HexamethoniumRefChem:146066200-465-1DepressinChloor-hexavietEsomid chlorideHexone chlorideHiohex chloride
Database identifiers
- CAS
60-25-3- PubChem CID
- 93550
- DTXSID
DTXSID3044700- ChEMBL
CHEMBL105608
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 292 °C · 292°C(dec.)(lit.)
- Boiling point
- 423.36 °C · 423.36°C (rough estimate)
- Density
- 1.0558 · 1.0558 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- solubility
- 2 O: · H2O: soluble
- form
- solid (hygroscopic)
- color
- white
- Water Solubility
- almost transparency
- BRN
- 3714806 · 3714806
- InChI
- 1S/C12H30N2.2ClH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
- InChIKey
- PYIHTIJNCRKDBV-UHFFFAOYSA-L
- SMILES
- [Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C
- CAS DataBase Reference
- 60 · 60-25-3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Hexamethonium chloride (EC: 200-465-1)
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ8650000
- hs_code
- 2923.90.0100
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
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.
Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2): ACTIVE
Applications
UsesHexamethonium Chloride is a ganglionic nicotinic receptor blocker.
UsesHexamethonium chloride has been used to block the responses of nicotinic receptors towards it agonists. It has also been used to study the mechanosensitivity of viscerofugal neurons.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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