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CHEBI:32137 - egualen sodium

ChEBI IDCHEBI:32137
ChEBI Nameegualen sodium
Stars
DefinitionAn organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers.
Last Modified23 April 2015
DownloadsMolfile
FormulaC15H17O3S.Na
Net Charge0
Average Mass300.355
Monoisotopic Mass300.07961
SMILESCCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2.[Na+]
InChIInChI=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
InChIKeyKXGWXVVNYQOMQZ-UHFFFAOYSA-M
Roles Classification
Biological Role:
thromboxane A2 antagonist  An antagonist that binds to and deactivates thromboxane A2 receptors.
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
egualen sodium (CHEBI:32137) has part egualen(1−) (CHEBI:85546)
egualen sodium (CHEBI:32137) has role anti-ulcer drug (CHEBI:49201)
egualen sodium (CHEBI:32137) has role thromboxane A2 antagonist (CHEBI:85540)
egualen sodium (CHEBI:32137) is a organic sodium salt (CHEBI:38700)
egualen sodium (CHEBI:32137) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
sodium 3-ethyl-7-(propan-2-yl)azulene-1-sulfonate
Synonyms  Source
3-Ethyl-7-(1-methylethyl)-1-azulenesulfonic acid sodium saltChemIDplus
KT 1-32ChemIDplus
Azuletil sodiumChemIDplus
sodium 3-ethyl-7-isopropylazulene-1-sulfonateChEBI
3-ethyl-7-isopropylazulene sodium sulfonateChEBI
KT1-32ChEBI
Manual XrefsDatabases
C13414KEGG COMPOUND
KR20100053449Patent
Registry NumbersSources
Reaxys:4897254Reaxys
CAS:97683-31-3KEGG COMPOUND
CAS:97683-31-3ChemIDplus
Citations