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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:doxacurium
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Accession:CHEBI:4706 term browser browse the term
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.
Synonyms:related_synonym: (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);   Formula=C56H78N2O16
 xref: KEGG:C07549


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Term Annotations click to browse term
  CHEBI ontology 903
    chemical entity 903
      molecular entity 901
        ion 131
          organic ion 57
            organic cation 38
              quaternary ammonium ion 16
                doxacurium 0
                  doxacurium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 903
    subatomic particle 888
      composite particle 888
        hadron 888
          baryon 888
            nucleon 888
              atomic nucleus 888
                atom 888
                  main group element atom 857
                    p-block element atom 854
                      carbon group element atom 830
                        carbon atom 829
                          organic molecular entity 829
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      dicarboxylic acids and O-substituted derivatives 12
                                        dicarboxylic acid 12
                                          alpha,omega-dicarboxylic acid 4
                                            succinic acid 4
                                              succinate ester 4
                                                meso-doxacurium 0
                                                  doxacurium 0
                                                    doxacurium chloride 0
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