CHEBI:4707 - doxacurium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name doxacurium chloride
Definition The dichloride salt of doxacurium. It is 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] dichloride, all of which are in a trans configuration at the 1 and 2 positions of the tetrahydroisoquinolinium rings. A competitive neuromuscular blocker, it 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 C56H78Cl2N2O16
Net Charge 0
Average Mass 1106.130
Monoisotopic Mass 1104.47284
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing doxacurium chloride (CHEBI:4707) has part (1R,2S,1'R,2'S)-doxacurium chloride (CHEBI:59821)
doxacurium chloride (CHEBI:4707) has part (1S,2R,1'S,2'R)-doxacurium chloride (CHEBI:59823)
doxacurium chloride (CHEBI:4707) has part meso-doxacurium chloride (CHEBI:59819)
doxacurium chloride (CHEBI:4707) has part doxacurium (CHEBI:4706)
doxacurium chloride (CHEBI:4707) has role muscle relaxant (CHEBI:51371)
doxacurium chloride (CHEBI:4707) is a chloride salt (CHEBI:23114)
doxacurium chloride (CHEBI:4707) is a diester (CHEBI:51307)
doxacurium chloride (CHEBI:4707) is a quaternary ammonium salt (CHEBI:35273)
INNs Sources
chlorure de doxacurium ChemIDplus
cloruro de doxacurio ChemIDplus
doxacurii chloridum ChemIDplus
doxacurium chloride ChemIDplus
Synonym Source
(1R,2S;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, 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 chloride, succinate (2:1) ChemIDplus
Manual Xrefs Databases
DB01135 DrugBank
DB01334 DrugBank
US4701460 Patent
View more database links
Registry Numbers Types Sources
106819-53-8 CAS Registry Number KEGG DRUG
106819-53-8 CAS Registry Number ChemIDplus
9184298 Beilstein Registry Number Beilstein
9689361 Beilstein Registry Number Beilstein
Last Modified
10 August 2010