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CHEBI:31479 - sodium dibunate

Default Structure
ChEBI IDCHEBI:31479
ChEBI Namesodium dibunate
Stars
DefinitionThe sodium salt of dibunic acid. It is used as a cough suppressant.
Last Modified24 February 2020
DownloadsMolfile
FormulaC18H23O3S.Na
Net Charge0
Average Mass342.436
Monoisotopic Mass342.12656
SMILESCC(C)(C)c1ccc2c(S(=O)(=O)[O-])c(C(C)(C)C)ccc2c1.[Na+]
InChIInChI=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
InChIKeyXYEXKDCAGSHWSD-UHFFFAOYSA-M
Roles Classification
Application:
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 Relation(s)
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  Source
dibunate de sodiumWHO MedNet
dibunato de sodioWHO MedNet
natrii dibunasWHO MedNet
sodium dibunateWHO MedNet
Synonyms  Source
2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid sodium saltChEBI
2,6-di-tert-butyl-1-naphthalenesulfonic acid sodium saltChEBI
dibunate sodiumKEGG DRUG
L 1633ChemIDplus
L-1633ChemIDplus
sodium 2,6-di-tert-butyl-1-naphthalenesulfonateChEBI
Brand Names  Source
BecantalChEBI
BecantexChEBI
BechisanChemIDplus
BekantilChemIDplus
KeutenChEBI
LinctussalChEBI
Manual XrefsDatabases
860DrugCentral
C13161KEGG COMPOUND
D01700KEGG DRUG
Registry NumbersSources
CAS:14992-59-7KEGG COMPOUND
CAS:14992-59-7ChemIDplus
Citations