decamethonium (CHEBI:41934)

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CHEBI:41934 - decamethonium

ChEBI ID	CHEBI:41934
ChEBI Name	decamethonium
Stars
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.
Secondary ChEBI IDs	CHEBI:4346, CHEBI:41930
Last Modified	22 February 2017
Downloads	Molfile

Formula	C16H38N2
Net Charge	+2
Average Mass	258.494
Monoisotopic Mass	258.30240
SMILES	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
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

Wikipedia

Roles Classification

Biological Role:

nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.

Applications:

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.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
Decamethonium	KEGG COMPOUND
DECAMETHONIUM ION	PDBeChem
decamethylenebis(trimethylammonium)	ChemIDplus
N,N,N,N',N',N'-hexamethyl-1,10-decanediaminium	ChemIDplus

Manual Xrefs	Databases
789	DrugCentral
C11733	KEGG COMPOUND
DB01245	DrugBank
Decamethonium	Wikipedia
DME	PDBeChem
HMDB0015375	HMDB
LSM-6606	LINCS

Registry Numbers	Sources
Beilstein:1774794	Beilstein
Reaxys:1774794	Reaxys
CAS:156-74-1	KEGG COMPOUND
CAS:156-74-1	ChemIDplus

Citations