Name: HEXAMETHONIUM CHLORIDE
SKU: 60-25-3

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Basic Information

Molecular Structure:
CAS No.:	60-25-3
Name:	HEXAMETHONIUM CHLORIDE
Article Data:	2

Formula:	C12H30 N2 . 2 Cl
Molecular Weight:	273.29
Synonyms:	1,6-Hexanediaminium,N,N,N,N',N',N'-hexamethyl-, dichloride (9CI); Ammonium, hexamethylenebis[trimethyl-,dichloride (8CI); Hexamethylenebis[trimethylammonium chloride] (6CI,7CI);Bistrium chloride; Chloor-hexaviet; Esomid Chloride; Hestrium chloride;Hexamethonium chloride; Hexamethonium dichloride; Hexameton chloride; Hexonchloride; Hexone chloride; Hiohex Chloride; Methium Chloride; Meton;N,N'-Hexamethylenebis(trimethylammonium chloride); a,w-Bis[trimethylammonium]hexane dichloride
Density:	1.0558 (rough estimate)
Melting Point:	292°C(dec.)(lit.)
Boiling Point:	423.36°C (rough estimate)
Solubility:	almost transparency
Safety:	Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NH₃, NO_x, and Cl⁻. See also CHLORIDES.
PSA:	0.00000
LogP:	-4.03280

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Chemistry

Product Name: Hexamethonium chloride (CAS NO.60-25-3)

Molecular Formula: C₁₂H₃₀Cl₂N₂
Molecular Weight: 273.29g/mol
Mol File: 60-25-3.mol
EINECS: 200-465-1
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Hexamethonium chloride (CAS NO.60-25-3):
IUPAC Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dichloride
Canonical SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.[Cl-].[Cl-]
InChI: 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
Product Categories: Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	35mg/kg (35mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 346, 1957.
mouse	LD50	intraperitoneal	62mg/kg (62mg/kg)	AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 69, 1965.
mouse	LD50	intravenous	26700ug/kg (26.7mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 127, Pg. 1, 1960.
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 346, 1957.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NH₃, NO_x, and Cl⁻. See also CHLORIDES.

Specification

Hexamethonium chloride , its CAS NO. is 60-25-3, the synonyms are AI3-61433 ; Ammonium, hexamethylenebis(trimethyl-, dichloride ; Bistrium chloride ; Chloor-hexaviet ; Depressin ; EINECS 200-465-1 ; Esomid chloride ; Hestrium chloride ; Hexamethylene(bistrimethylammonium)chloride ; Hexamethylenebis(trimethylammonium) chloride ; Hexameton chloride ; Hexon chloride ; Methium chloride ; Meton ; NSC 21643 ; UNII-TIV4Q933FU ; alpha,omega-Bis(trimethylammonium)hexane dichloride ; 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dichloride ; 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2) .