CHEBI:4706 - doxacurium

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ChEBI Name doxacurium
Definition A mixture of the (1R,2S,1'S,2'R), (1R,2S,1'R,2'S) and (1S,2R,1'S,2'R) stereoisomers (a meso isomer and two enantiomers, respectively) of 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium], all of which are in a trans configuration at the 1 and 2 positions of the tetrahydroisoquinolinium rings. A competitive neuromuscular blocker, the chloride salt is used to provide muscle relaxation in general anaesthesia and to facilitate mechanical ventilation in patients in intensive care.
Stars This entity has been manually annotated by the ChEBI Team.
Formula C56H78N2O16
Net Charge 0
Average Mass 1035.224
Monoisotopic Mass 1034.53513
Roles Classification
Application(s): 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 doxacurium (CHEBI:4706) has part (1R,2S,1'R,2'S)-doxacurium (CHEBI:59820)
doxacurium (CHEBI:4706) has part (1S,2R,1'S,2'R)-doxacurium (CHEBI:59822)
doxacurium (CHEBI:4706) has part meso-doxacurium (CHEBI:59818)
doxacurium (CHEBI:4706) has role muscle relaxant (CHEBI:51371)
doxacurium (CHEBI:4706) is a diester (CHEBI:51307)
doxacurium (CHEBI:4706) is a quaternary ammonium ion (CHEBI:35267)
Incoming doxacurium chloride (CHEBI:4707) has part doxacurium (CHEBI:4706)
Synonyms Sources
(1R,2S;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium, succinate (2:1), mixture with (±)-(1R*,2S*;1R*,2S*)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium, succinate (2:1) ChEBI
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Last Modified
06 April 2018