CHEBI:31479 - sodium dibunate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium dibunate
ChEBI ID CHEBI:31479
Definition The sodium salt of dibunic acid. It is used as a cough suppressant.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H23O3S.Na
Net Charge 0
Average Mass 342.430
Monoisotopic Mass 342.12656
InChI InChI=1S/C18H24O3S.Na/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);/q;+1/p-1
InChIKey XYEXKDCAGSHWSD-UHFFFAOYSA-M
SMILES C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S([O-])(=O)=O.[Na+]
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sodium dibunate (CHEBI:31479) has part dibunate (CHEBI:145567)
sodium dibunate (CHEBI:31479) has role antitussive (CHEBI:51177)
sodium dibunate (CHEBI:31479) is a organic sodium salt (CHEBI:38700)
sodium dibunate (CHEBI:31479) is a organosulfonate salt (CHEBI:64382)
IUPAC Name
sodium 2,6-di-tert-butylnaphthalene-1-sulfonate
INNs Sources
dibunate de sodium WHO MedNet
dibunato de sodio WHO MedNet
natrii dibunas WHO MedNet
sodium dibunate WHO MedNet
Synonyms Sources
2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid sodium salt ChEBI
2,6-di-tert-butyl-1-naphthalenesulfonic acid sodium salt ChEBI
dibunate sodium KEGG DRUG
L 1633 ChemIDplus
L-1633 ChemIDplus
sodium 2,6-di-tert-butyl-1-naphthalenesulfonate ChEBI
Brand Names Sources
Becantal ChEBI
Becantex ChEBI
Bechisan ChemIDplus
Bekantil ChemIDplus
Keuten ChEBI
Linctussal ChEBI
Sodinate ChEBI
Manual Xrefs Databases
860 DrugCentral
C13161 KEGG COMPOUND
D01700 KEGG DRUG
View more database links
Registry Numbers Types Sources
14992-59-7 CAS Registry Number KEGG COMPOUND
14992-59-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13036369 PubMed citation Europe PMC
13133932 PubMed citation Europe PMC
Last Modified
24 February 2020
General Comment
2020-02-24 Although most sources refer to this compound as sodium 2,6-di-tert-butylnaphthalene sulfonate, it is a mixture of at least two isomers (2,6- and 2,7- isomers).