dibunate (CHEBI:145567)

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ChEBI Name	dibunate

ChEBI ID	CHEBI:145567

Definition	A naphthalenemonosulfonate obtained by the deprotonation of the sulfonic acid group of dibunic acid.

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

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Formula

C18H23O3S

Net Charge

-1

Average Mass

319.440

Monoisotopic Mass

319.13734

InChI

InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)/p-1

InChIKey

WBEBQCINXJDZCX-UHFFFAOYSA-M

SMILES

C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S([O-])(=O)=O

Roles Classification
Application(s):	antitussive An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.

ChEBI Ontology
Outgoing	dibunate (CHEBI:145567) has role antitussive (CHEBI:51177) dibunate (CHEBI:145567) is a naphthalenemonosulfonate (CHEBI:25471) dibunate (CHEBI:145567) is conjugate base of dibunic acid (CHEBI:146215)

Incoming	sodium dibunate (CHEBI:31479) has part dibunate (CHEBI:145567) dibunic acid (CHEBI:146215) is conjugate acid of dibunate (CHEBI:145567)

IUPAC Name

2,6-di-tert-butylnaphthalene-1-sulfonate

Synonyms	Sources
2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate	ChEBI
acide dibunique	WHO MedNet
dibunic acid(1−)	ChEBI

Registry Number	Type	Source
14992-58-6	CAS Registry Number	ChemIDplus

Last Modified

24 February 2020