CHEBI:503442 - gallamine

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ChEBI Name gallamine
ChEBI ID CHEBI:503442
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H45N3O3
Net Charge 0
Average Mass 423.63240
Monoisotopic Mass 423.346
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
SMILES CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC
Roles Classification
Biological Role(s): cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
drug allergen
Any drug which causes the onset of an allergic reaction.
Application(s): cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
drug allergen
Any drug which causes the onset of an allergic reaction.
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 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 Sources
2,2',2''-(Benzene-1,2,3-triyltri(oxy))tris(N,N-diethylethylamine) ChemIDplus
2-(2,6-bis(2-(diethylamino)ethoxy)phenoxy)-N,N-diethylethanamine ChEMBL
Gallamonum ChemIDplus
Registry Numbers Types Sources
153-76-4 CAS Registry Number ChemIDplus
1893976 Beilstein Registry Number Beilstein
1893976 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
6196640 PubMed citation Europe PMC
7082354 PubMed citation Europe PMC
7522861 PubMed citation Europe PMC
Last Modified
26 January 2016