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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 23757
    role 23646
      application 23042
        pro-agent 9001
          prodrug 8791
            isavuconazonium sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23757
    subatomic particle 23706
      composite particle 23706
        hadron 23706
          baryon 23706
            nucleon 23706
              atomic nucleus 23706
                atom 23706
                  main group element atom 23525
                    p-block element atom 23525
                      chalcogen 22756
                        oxygen atom 22719
                          oxygen molecular entity 22719
                            hydroxides 21980
                              oxoacid 21174
                                chalcogen oxoacid 12120
                                  sulfur oxoacid 11672
                                    sulfuric acid 8382
                                      sulfuric acid derivative 8382
                                        sulfates 8379
                                          sulfate salt 7447
                                            organic sulfate salt 121
                                              organoammonium sulfate salt 115
                                                azaheterocycle sulfate salt 4
                                                  isavuconazonium sulfate 0
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