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Hexamethonium Bromide

CAT: 0931-T0287-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T0287-02Size:1 g
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CAS Number
55-97-0
Target
Apoptosis, Dopamine Receptor, AChR
Related Pathways
Neuroscience, GPCR/G Protein, Apoptosis
Purity
0.9987
Bioactivity
Hexamethonium Bromide (Hexamethonium Dibromide), a specific antagonist of neuronal-type nicotinic AChR in ganglia, is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier.
Smiles
[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C
Molecular Formula
C12H30Br2N2
Molecular Weight
362.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hexamethonium Bromide

See also: Hexamethonium (has active moiety); Hexamethonium Chloride (related); Hexamethonium Iodide (related).

CAS Number55-97-0
PubChem CID5938
IUPAC Nametrimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
Molecular FormulaC12H30Br2N2
Molecular Weight362.19
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity121
SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI
InChI=1S/C12H30N2.2BrH/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
FAPSXSAPXXJTOU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Hexamethonium Bromide
CAS: 55-97-0
CID: 5938
Formula: C12H30Br2N2
MW: 362.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass362.07552
Monoisotopic Mass360.07757
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes