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CHEBI:146215 - dibunic acid

ChEBI IDCHEBI:146215
ChEBI Namedibunic acid
Stars
DefinitionA naphthalenesulfonic acid that is naphthalene-1-sulfonic acid which is substituted by tert-butyl groups at positions 2 and 6.
Last Modified24 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC18H24O3S
Net Charge0
Average Mass320.454
Monoisotopic Mass320.14462
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)
InChIKeyWBEBQCINXJDZCX-UHFFFAOYSA-N
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)
dibunic acid (CHEBI:146215) has role antitussive (CHEBI:51177)
dibunic acid (CHEBI:146215) is a naphthalenesulfonic acid (CHEBI:36336)
dibunic acid (CHEBI:146215) is conjugate acid of dibunate (CHEBI:145567)
Incoming Relation(s)
dibunate (CHEBI:145567) is conjugate base of dibunic acid (CHEBI:146215)
IUPAC Name 
2,6-di-tert-butylnaphthalene-1-sulfonic acid
Synonym  Source
2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonic acidChEBI