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ONTOLOGY REPORT - ANNOTATIONS


Term:sugammadex
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Accession:CHEBI:90953 term browser browse the term
Definition:An octasaccharide derivative that is gamma-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery.
Synonyms:related_synonym: Formula=C72H112O48S8;   InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1;   InChIKey=WHRODDIHRRDWEW-VTHZAVIASA-N;   SMILES=O1[C@H](CSCCC(=O)O)[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O2)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(O)=O)CSCCC(=O)O
 xref: CAS:343306-71-8 "ChemIDplus";   Drug_Central:4233 "DrugCentral";   PMID:26271275 "Europe PMC";   PMID:26322661 "Europe PMC";   PMID:26351827 "Europe PMC";   PMID:26394365 "Europe PMC";   PMID:26398716 "Europe PMC";   PMID:26401735 "Europe PMC";   PMID:26409923 "Europe PMC";   PMID:26418697 "Europe PMC";   PMID:26437545 "Europe PMC";   PMID:26437551 "Europe PMC";   PMID:26437552 "Europe PMC";   PMID:26449072 "Europe PMC";   PMID:26456087 "Europe PMC";   PMID:26472231 "Europe PMC";   PMID:26485626 "Europe PMC";   PMID:26505986 "Europe PMC";   PMID:26508869 "Europe PMC";   PMID:26533808 "Europe PMC";   PMID:26534102 "Europe PMC";   PMID:26558858 "Europe PMC";   PMID:26558863 "Europe PMC";   PMID:26558864 "Europe PMC";   PMID:26564297 "Europe PMC";   PMID:26597732 "Europe PMC";   PMID:26634077 "Europe PMC";   PMID:26646837 "Europe PMC";   PMID:26673602 "Europe PMC";   PMID:26684534 "Europe PMC";   PMID:26685122 "Europe PMC";   PMID:26747019 "Europe PMC";   PMID:26748952 "Europe PMC";   PMID:26750413 "Europe PMC";   PMID:26750414 "Europe PMC";   Wikipedia:Sugammadex
 cyclic_relationship: is_conjugate_acid_of CHEBI:90957


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19754
    role 19701
      application 19353
        pharmaceutical 19222
          drug 19222
            neuromuscular agent 1286
              sugammadex 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            heteroorganic entity 19095
                              organochalcogen compound 18793
                                organooxygen compound 18705
                                  carbohydrates and carbohydrate derivatives 12118
                                    carbohydrate 12118
                                      polysaccharide 2928
                                        homopolysaccharide 1244
                                          glucan 1226
                                            dextrins 57
                                              maltodextrin 57
                                                cyclomaltodextrin 56
                                                  cyclodextrin 56
                                                    gamma-cyclodextrin 0
                                                      sugammadex 0
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