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ONTOLOGY REPORT - ANNOTATIONS


Term:isavuconazonium sulfate
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Accession:CHEBI:85977 term browser browse the term
Definition:An azaheterocycle sulfate salt that is a prodrug for isavuconazole, an antifungal agent used for the treatment of invasive aspergillosis and invasive mucormycosis.
Synonyms:exact_synonym: (2-{[(1-{1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazol-4-ium-4-yl}ethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl N-methylglycinate hydrogen sulfate
 related_synonym: BAL-8557-002;   Cresemba;   Formula=C35H36F2N8O9S2;   InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1;   InChIKey=LWXUIUUOMSMZKJ-KLFWAVJMSA-M;   SMILES=OS([O-])(=O)=O.CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@@](O)([C@@H](C)c2nc(cs2)-c2ccc(cc2)C#N)c2cc(F)ccc2F)c1
 xref: CAS:946075-13-4 "ChemIDplus";   PMID:24100500 "Europe PMC";   PMID:24492363 "Europe PMC";   PMID:25488140 "Europe PMC";   PMID:25561337 "Europe PMC";   PMID:25753636 "Europe PMC";   PMID:25825173 "Europe PMC";   PMID:25902926 "Europe PMC";   Wikipedia:Isavuconazole


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Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      application 19350
        pro-agent 8820
          prodrug 8609
            isavuconazonium sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      chalcogen 19337
                        oxygen atom 19298
                          oxygen molecular entity 19298
                            hydroxides 19053
                              oxoacid 18117
                                chalcogen oxoacid 11406
                                  sulfur oxoacid 10998
                                    sulfuric acid 7916
                                      sulfuric acid derivative 7916
                                        sulfates 7913
                                          sulfate salt 7023
                                            organic sulfate salt 125
                                              organoammonium sulfate salt 119
                                                azaheterocycle sulfate salt 4
                                                  isavuconazonium sulfate 0
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