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ONTOLOGY REPORT - ANNOTATIONS


Term:egualen sodium
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Accession:CHEBI:32137 term browser browse the term
Definition:An organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers.
Synonyms:exact_synonym: sodium 3-ethyl-7-(propan-2-yl)azulene-1-sulfonate
 related_synonym: 3-Ethyl-7-(1-methylethyl)-1-azulenesulfonic acid sodium salt;   3-ethyl-7-isopropylazulene sodium sulfonate;   Azuletil sodium;   Formula=C15H17NaO3S;   Formula=C15H17O3S.Na;   InChI=1S/C15H18O3S.Na/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);/q;+1/p-1;   InChIKey=KXGWXVVNYQOMQZ-UHFFFAOYSA-M;   KT 1-32;   KT1-32;   SMILES=[Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O;   sodium 3-ethyl-7-isopropylazulene-1-sulfonate
 xref: CAS:97683-31-3 "ChemIDplus";   CAS:97683-31-3 "KEGG COMPOUND";   KEGG:C13414;   PMID:10611135 "Europe PMC";   PMID:11729358 "Europe PMC";   PMID:1829059 "Europe PMC";   PMID:2077187 "Europe PMC";   PMID:2258126 "Europe PMC";   PMID:23568973 "Europe PMC";   PMID:2595296 "Europe PMC";   PMID:9027640 "Europe PMC";   Patent:KR20100053449;   Reaxys:4897254 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      application 19362
        pharmaceutical 19231
          drug 19231
            anti-ulcer drug 753
              egualen sodium 0
Path 2
Term Annotations click to browse term
  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
                            oxide 11332
                              oxoanion 8222
                                chalcogen oxoanion 210
                                  sulfur oxoanion 209
                                    sulfonate 27
                                      organosulfonate oxoanion 27
                                        arenesulfonate oxoanion 3
                                          egualen(1-) 0
                                            egualen sodium 0
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