Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-22 05:00:17 UTC |
---|
Update Date | 2016-11-09 01:15:44 UTC |
---|
Accession Number | CHEM018112 |
---|
Identification |
---|
Common Name | N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium |
---|
Class | Small Molecule |
---|
Description | A nicotinic cholinergic antagonist often referred to as the prototypical ganglionic blocker. It is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier. It has been used for a variety of therapeutic purposes including hypertension but, like the other ganglionic blockers, it has been replaced by more specific drugs for most purposes, although it is widely used a research tool. |
---|
Contaminant Sources | - STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
|
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
Diperchlorate, hexamethonium | MeSH | Hexamethonium dihydroxide | MeSH | Hexamethonium diperchlorate | MeSH | Iodide, hexamethonium | MeSH | Dibromide, hexamethonium | MeSH | Diiodide, hexamethonium | MeSH | Dimethylsulfate, hexamethonium | MeSH | Hexamethonium bromide | MeSH | Hexamethonium dibromide | MeSH | Hexamethonium dibromide dihydrate | MeSH | Bitartrate, hexamethonium | MeSH | Chloride, hexamethonium | MeSH | Depressin | MeSH | Dihydroxide, hexamethonium | MeSH | Hexamethonium bitartrate | MeSH | Hexamethonium diiodide | MeSH | Hexamethonium dimethylsulfate | MeSH | Hexamethonium monotartrate | MeSH | Bromide, hexamethonium | MeSH | Dibromide dihydrate, hexamethonium | MeSH | Dichloride dihydrate, hexamethonium | MeSH | Dihydrate, hexamethonium dibromide | MeSH | Dihydrate, hexamethonium dichloride | MeSH | Hexamethonium chloride | MeSH | Hexamethonium dichloride dihydrate | MeSH | Hexamethonium iodide | MeSH | Hexonium | MeSH | Monotartrate, hexamethonium | MeSH |
|
---|
Chemical Formula | C12H30N2 |
---|
Average Molecular Mass | 202.380 g/mol |
---|
Monoisotopic Mass | 202.241 g/mol |
---|
CAS Registry Number | 60-26-4 |
---|
IUPAC Name | trimethyl[6-(trimethylazaniumyl)hexyl]azanium |
---|
Traditional Name | hexamethonium |
---|
SMILES | C[N+](C)(C)CCCCCC[N+](C)(C)C |
---|
InChI Identifier | InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2 |
---|
InChI Key | VZJFGSRCJCXDSG-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | 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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic nitrogen compounds |
---|
Class | Organonitrogen compounds |
---|
Sub Class | Quaternary ammonium salts |
---|
Direct Parent | Hexamethonium compounds |
---|
Alternative Parents | |
---|
Substituents | - Hexamethonium
- Tetraalkylammonium salt
- Organopnictogen compound
- Hydrocarbon derivative
- Organic salt
- Amine
- Organic cation
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Not Available |
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | DB08960 |
---|
HMDB ID | Not Available |
---|
FooDB ID | Not Available |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Hexamethonium |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | Not Available |
---|
PubChem Compound ID | 3604 |
---|
Kegg Compound ID | C07510 |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | Not Available |
---|