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ONTOLOGY REPORT - ANNOTATIONS


Term:egualen
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Accession:CHEBI:85542 term browser browse the term
Definition:A member of the class of azulenes carrying sulfo, ethyl and isopropyl substituents at positions 1, 3 and 7 respectively. Used (in the form of its sodium salt) for treatment of gastric ulcers.
Synonyms:exact_synonym: 3-ethyl-7-(propan-2-yl)azulene-1-sulfonic acid
 related_synonym: 3-Ethyl-7-isopropyl-1-azulenesulfonic acid;   3-ethyl-7-isopropylazulene-1-sulfonic acid;   Azuletil;   Formula=C15H18O3S;   InChI=1S/C15H18O3S/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14/h5-10H,4H2,1-3H3,(H,16,17,18);   InChIKey=NARQSHREEUXZBT-UHFFFAOYSA-N;   SMILES=CCc1cc(c2cc(cccc12)C(C)C)S(O)(=O)=O;   egualene;   egualeno;   egualenum
 xref: CAS:99287-30-6 "ChemIDplus";   Drug_Central:993 "DrugCentral";   PMID:10611135 "Europe PMC";   PMID:11729358 "Europe PMC";   PMID:1829059 "Europe PMC";   PMID:2258126 "Europe PMC";   PMID:23568973 "Europe PMC";   PMID:2595296 "Europe PMC";   PMID:9027640 "Europe PMC";   Reaxys:13495833 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:85546


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  CHEBI ontology 19764
    role 19711
      application 19362
        pharmaceutical 19231
          drug 19231
            anti-ulcer drug 753
              egualen 0
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  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      chalcogen 19350
                        oxygen atom 19311
                          oxygen molecular entity 19311
                            hydroxides 19062
                              oxoacid 18124
                                chalcogen oxoacid 11411
                                  sulfur oxoacid 11003
                                    sulfonic acid 7256
                                      sulfo group 5633
                                        organosulfonic acid 5633
                                          arenesulfonic acid 603
                                            egualen 0
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