egualen sodium (CHEBI:32137)

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ChEBI Name	egualen sodium

ChEBI ID	CHEBI:32137

Definition	An organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formulae

C15H17NaO3S
C15H17O3S.Na

Net Charge

Average Mass

300.34800

Monoisotopic Mass

300.07961

InChI

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

SMILES

[Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O

Roles Classification
Biological Role(s):	thromboxane A2 antagonist An antagonist that binds to and deactivates thromboxane A2 receptors.

Application(s):	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	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	Sources
3-Ethyl-7-(1-methylethyl)-1-azulenesulfonic acid sodium salt	ChemIDplus
3-ethyl-7-isopropylazulene sodium sulfonate	ChEBI
Azuletil sodium	ChemIDplus
KT 1-32	ChemIDplus
KT1-32	ChEBI
sodium 3-ethyl-7-isopropylazulene-1-sulfonate	ChEBI

Last Modified

23 April 2015