CHEBI:41934 - decamethonium

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ChEBI Name decamethonium
ChEBI ID CHEBI:41934
Definition A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41930, CHEBI:4346
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Formula C16H38N2
Net Charge +2
Average Mass 258.48520
Monoisotopic Mass 258.303
InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKey MTCUAOILFDZKCO-UHFFFAOYSA-N
SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Roles Classification
Biological Role(s): nicotinic acetylcholine receptor agonist
An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
Application(s): nicotinic acetylcholine receptor agonist
An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing decamethonium (CHEBI:41934) has parent hydride decane (CHEBI:41808)
decamethonium (CHEBI:41934) has role muscle relaxant (CHEBI:51371)
decamethonium (CHEBI:41934) has role nicotinic acetylcholine receptor agonist (CHEBI:47958)
decamethonium (CHEBI:41934) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name
N,N,N,N',N',N'-hexamethyldecane-1,10-diaminium
Synonyms Sources
Decamethonium KEGG COMPOUND
DECAMETHONIUM ION PDBeChem
decamethylenebis(trimethylammonium) ChemIDplus
N,N,N,N',N',N'-hexamethyl-1,10-decanediaminium ChemIDplus
Database Links Databases
789 DrugCentral
C11733 KEGG COMPOUND
DB01245 DrugBank
Decamethonium Wikipedia
DME PDBeChem
HMDB0015375 HMDB
LSM-6606 LINCS
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Registry Numbers Types Sources
156-74-1 CAS Registry Number ChemIDplus
1774794 Beilstein Registry Number ChemIDplus
1774794 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23398375 PubMed citation Europe PMC
6196640 PubMed citation Europe PMC
7678947 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2014-07-02 Decamethonium can be found in blood and urine samples of individuals who have taken this drug.