gallamine (CHEBI:503442)

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CHEBI:503442 - gallamine

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ChEBI ID	CHEBI:503442
ChEBI Name	gallamine
Stars
Definition	A tertiary amine non-depolarising muscle relaxant whose structure comprises a core benzene molecule substituted at each of C-1, C-2 and C-3 by an N,N-diethyl-2-(ethylamino)ethoxy group.
Last Modified	26 January 2016
Downloads	Molfile

Formula	C24H45N3O3
Net Charge	0
Average Mass	423.642
Monoisotopic Mass	423.34609
SMILES	CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC
InChI	InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
InChIKey	ICLWTJIMXVISSR-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	drug allergen Any drug which causes the onset of an allergic reaction. cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
Applications:	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. drug allergen Any drug which causes the onset of an allergic reaction. cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.

ChEBI Ontology

Outgoing Relation(s)
	gallamine (CHEBI:503442) has role cholinergic antagonist (CHEBI:48873)
	gallamine (CHEBI:503442) has role drug allergen (CHEBI:88188)
	gallamine (CHEBI:503442) has role muscle relaxant (CHEBI:51371)
	gallamine (CHEBI:503442) is a tertiary amine (CHEBI:32876)

IUPAC Name
2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N-diethylethanamine)

Synonyms	Source
2-(2,6-bis(2-(diethylamino)ethoxy)phenoxy)-N,N-diethylethanamine	ChEMBL
Gallamonum	ChemIDplus
2,2',2''-(Benzene-1,2,3-triyltri(oxy))tris(N,N-diethylethylamine)	ChemIDplus

Registry Numbers	Sources
Reaxys:1893976	Reaxys
CAS:153-76-4	ChemIDplus

Citations