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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 838
    role 815
      application 447
        pharmaceutical 397
          drug 397
            anti-ulcer drug 6
              egualen 0
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  CHEBI ontology 838
    subatomic particle 822
      composite particle 822
        hadron 822
          baryon 822
            nucleon 822
              atomic nucleus 822
                atom 822
                  main group element atom 810
                    p-block element atom 807
                      chalcogen 781
                        oxygen atom 728
                          oxygen molecular entity 728
                            hydroxides 653
                              oxoacid 289
                                chalcogen oxoacid 54
                                  sulfur oxoacid 45
                                    sulfonic acid 14
                                      sulfo group 3
                                        organosulfonic acid 3
                                          arenesulfonic acid 1
                                            egualen 0
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