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ONTOLOGY REPORT - ANNOTATIONS


Term:cisatracurium
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Accession:CHEBI:140621 term browser browse the term
Definition:A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate.
Synonyms:exact_synonym: (1R,2R,1'R,2'R)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
 related_synonym: (1R,2R,1'R,2'R)-atracurium;   (1R-cis,1'R-cis)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium];   (1R-cis,1'R-cis)-atracurium;   Formula=C53H72N2O12;   InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1;   InChIKey=YXSLJKQTIDHPOT-LJCJQEJUSA-N;   SMILES=C=12[C@H]([N@+](CCC1C=C(OC)C(=C2)OC)(CCC(OCCCCCOC(CC[N@@+]3([C@@H](C4=C(C=C(OC)C(=C4)OC)CC3)CC5=CC(=C(OC)C=C5)OC)C)=O)=O)C)CC6=CC(=C(OC)C=C6)OC
 xref: CAS:96946-41-7;   DrugBank:DB00565
 xref_mesh: MESH:C101584
 xref: PMID:27703625;   PMID:28239805;   PMID:28351905;   PMID:28367286;   PMID:28770545;   PMID:29324189;   PMID:29368335;   PMID:29517695;   PMID:29635320;   Patent:WO2013189800;   Reaxys:8184048


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cisatracurium term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit JBrowse link 8 59,594,007 59,607,122 RGD:6480464
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit JBrowse link 3 176,533,182 176,547,965 RGD:6480464
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit JBrowse link 1 123,897,341 124,039,263 RGD:6480464
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit JBrowse link 2 189,088,570 189,096,785 RGD:6480464
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit JBrowse link 8 59,610,489 59,629,073 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      molecular entity 19767
        ion 15874
          organic ion 8306
            organic cation 7121
              quaternary ammonium ion 5063
                cisatracurium 5
                  cisatracurium besylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    main group molecular entity 19655
                      s-block molecular entity 19398
                        hydrogen molecular entity 19388
                          hydrides 18363
                            inorganic hydride 17213
                              pnictogen hydride 17176
                                nitrogen hydride 17011
                                  ammonium 8219
                                    ammonium ion derivative 8214
                                      quaternary ammonium ion 5063
                                        cisatracurium 5
                                          cisatracurium besylate 0
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