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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 21025
    role 21006
      application 20434
        pro-agent 8759
          prodrug 8532
            isavuconazonium sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21025
    subatomic particle 21019
      composite particle 21019
        hadron 21019
          baryon 21019
            nucleon 21019
              atomic nucleus 21019
                atom 21019
                  main group element atom 20860
                    p-block element atom 20860
                      chalcogen 20040
                        oxygen atom 20027
                          oxygen molecular entity 20027
                            hydroxides 19759
                              oxoacid 19094
                                chalcogen oxoacid 11755
                                  sulfur oxoacid 11344
                                    sulfuric acid 8199
                                      sulfuric acid derivative 8199
                                        sulfates 8196
                                          sulfate salt 7069
                                            organic sulfate salt 121
                                              organoammonium sulfate salt 115
                                                azaheterocycle sulfate salt 4
                                                  isavuconazonium sulfate 0
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