Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   


go back to main search page
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 "ChemIDplus";   DrugBank:DB00565
 xref_mesh: MESH:C101584
 xref: PMID:27703625 "Europe PMC";   PMID:28239805 "Europe PMC";   PMID:28351905 "Europe PMC";   PMID:28367286 "Europe PMC";   PMID:28770545 "Europe PMC";   PMID:29324189 "Europe PMC";   PMID:29368335 "Europe PMC";   PMID:29517695 "Europe PMC";   PMID:29635320 "Europe PMC";   Patent:WO2013189800;   Reaxys:8184048 "Reaxys"

show annotations for term's descendants       view all columns           Sort by:
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 19728
    chemical entity 19726
      molecular entity 19723
        ion 15808
          organic ion 7895
            organic cation 7115
              quaternary ammonium ion 5058
                cisatracurium 5
                  cisatracurium besylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    main group molecular entity 19610
                      s-block molecular entity 19378
                        hydrogen molecular entity 19367
                          hydrides 18278
                            inorganic hydride 17205
                              pnictogen hydride 17167
                                nitrogen hydride 17003
                                  ammonium 8213
                                    ammonium ion derivative 8208
                                      quaternary ammonium ion 5058
                                        cisatracurium 5
                                          cisatracurium besylate 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.