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CHEBI:145567 - dibunate

ChEBI IDCHEBI:145567
ChEBI Namedibunate
Stars
DefinitionA naphthalenemonosulfonate obtained by the deprotonation of the sulfonic acid group of dibunic acid.
Last Modified24 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC18H23O3S
Net Charge-1
Average Mass319.446
Monoisotopic Mass319.13734
SMILESCC(C)(C)c1ccc2c(S(=O)(=O)[O-])c(C(C)(C)C)ccc2c1
InChIInChI=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
InChIKeyWBEBQCINXJDZCX-UHFFFAOYSA-M
Wikipedia
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)
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 Relation(s)
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
INNs  Source
dibunatoWHO MedNet
dibunateWHO MedNet
dibunasWHO MedNet
dibunateWHO MedNet
Synonyms  Source
acide dibuniqueWHO MedNet
dibunic acid(1−)ChEBI
2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonateChEBI
Manual XrefsDatabases
DB13796DrugBank
DibunateWikipedia
860DrugCentral
Registry NumbersSources
CAS:14992-58-6ChemIDplus