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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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  CHEBI ontology 225
    role 225
      application 191
        pro-agent 15
          prodrug 15
            isavuconazonium sulfate 0
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Term Annotations click to browse term
  CHEBI ontology 225
    subatomic particle 225
      composite particle 225
        hadron 225
          baryon 225
            nucleon 225
              atomic nucleus 225
                atom 225
                  main group element atom 218
                    p-block element atom 218
                      chalcogen 186
                        oxygen atom 184
                          oxygen molecular entity 184
                            hydroxides 155
                              oxoacid 123
                                chalcogen oxoacid 13
                                  sulfur oxoacid 13
                                    sulfuric acid 1
                                      sulfuric acid derivative 1
                                        sulfates 1
                                          sulfate salt 0
                                            organic sulfate salt 0
                                              organoammonium sulfate salt 0
                                                azaheterocycle sulfate salt 0
                                                  isavuconazonium sulfate 0
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