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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 19754
    role 19701
      application 19353
        pro-agent 8831
          prodrug 8620
            isavuconazonium sulfate 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
                      chalcogen 19340
                        oxygen atom 19301
                          oxygen molecular entity 19301
                            hydroxides 19053
                              oxoacid 18115
                                chalcogen oxoacid 11414
                                  sulfur oxoacid 11006
                                    sulfuric acid 7923
                                      sulfuric acid derivative 7923
                                        sulfates 7920
                                          sulfate salt 7027
                                            organic sulfate salt 125
                                              organoammonium sulfate salt 119
                                                azaheterocycle sulfate salt 4
                                                  isavuconazonium sulfate 0
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