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| CAS No.: | 60-25-3 |
|---|---|
| Name: | HEXAMETHONIUM CHLORIDE |
| Molecular Structure: | |
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| 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, NOx, 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, NOx, 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) .