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Hexamethonium bromide - 10mM in Water, high purity , CAS No.55-97-0
Cas Number: 55-97-0
Molecular Weight: 362.19
PubChem CID:
5938
Antagonist at α 3 -containing nAChR
Basic Description
Synonyms
HEXAMETHONIUM BROMIDE | 55-97-0 | Simpatoblock | Hexamethonium dibromide | Gangliostat | Hexamethionium bromide | Bistrium bromide | Hexamethonium (Bromide) | Esametina | Hexameton | Vegolysen | Vegolysin | Hexonium dibromide | 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibr
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
Ganglionic blocker; antagonist at α 3 -containing nicotinic acetylcholine receptors (autonomic ganglia).
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Hexamethonium compounds
Alternative Parents
Tetraalkylammonium salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hexamethonium - Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as hexamethonium compounds. These are organic compounds containing a N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
trimethyl-[6-(trimethylazaniumyl)hexyl]azanium;dibromide
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
Smiles
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
Isomeric SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
WGK Germany
2
RTECS
BQ8575000
Molecular Weight
362.19
Reaxy-Rn
3715749
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3715749&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
282-285℃
Molecular Weight
362.190 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
362.076 Da
Monoisotopic Mass
360.078 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
121.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
Citations of This Product
1.
Chao Ma, Xiaona Liu, Yang Hong, Nana Yan, Chenyang Nie, Jing Wang, Peng Guo, Zhongmin Liu.
(2023)
Fluoride- and Seed-Free Synthesis of Pure-Silica Zeolite Adsorbent and Matrix Using OSDA-Mismatch Approach. Journal of the American Chemical Society,
145
(44):
(24191–24201).
2.
Yan Rong, Lingrui Wang, Yongheng Wang, Wenxin Wang, Jiaxiang Wang, Yifang Yuan, Urooj Shahzadi, Junnian Chen, Lei Zhang, Kai Wang, Haizhong Guo.
(2024)
Pressure-Induced Unusual Transition of Luminescence Mechanics from Self-Trapped Exciton to Free Exciton Emission in Lead Bromide Perovskitoids. Advanced Optical Materials,
(2402086).
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2 Citations