egualen (CHEBI:85542)

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ChEBI Name	egualen

ChEBI ID	CHEBI:85542

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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O3S

Net Charge

Average Mass

278.36700

Monoisotopic Mass

278.09767

InChI

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

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 (CHEBI:85542) has role anti-ulcer drug (CHEBI:49201) egualen (CHEBI:85542) has role thromboxane A₂ antagonist (CHEBI:85540) egualen (CHEBI:85542) is a arenesulfonic acid (CHEBI:33555) egualen (CHEBI:85542) is a azulenes (CHEBI:38096) egualen (CHEBI:85542) is conjugate acid of egualen(1−) (CHEBI:85546)

Incoming	egualen(1−) (CHEBI:85546) is conjugate base of egualen (CHEBI:85542)

IUPAC Name

3-ethyl-7-(propan-2-yl)azulene-1-sulfonic acid

Synonyms	Sources
3-Ethyl-7-isopropyl-1-azulenesulfonic acid	ChemIDplus
3-ethyl-7-isopropylazulene-1-sulfonic acid	ChEBI
Azuletil	ChemIDplus

Last Modified

22 February 2017