CHEBI:39422 - octane-1-sulfonic acid

ChEBI IDCHEBI:39422
ChEBI Nameoctane-1-sulfonic acid
Stars
Last Modified13 March 2018
Submitterhcourrier
DownloadsMolfile
FormulaC8H18O3S
Net Charge0
Average Mass194.296
Monoisotopic Mass194.09767
SMILESCCCCCCCCS(=O)(=O)O
InChIInChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKeyWLGDAKIJYPIYLR-UHFFFAOYSA-N
Roles Classification
Application:
local anaesthetic  Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block.
ChEBI Ontology
Outgoing Relation(s)
octane-1-sulfonic acid (CHEBI:39422) has role local anaesthetic (CHEBI:36333)
octane-1-sulfonic acid (CHEBI:39422) is a organosulfonic acid (CHEBI:33551)
Incoming Relation(s)
perfluorooctane-1-sulfonic acid (CHEBI:39421) has functional parent octane-1-sulfonic acid (CHEBI:39422)
IUPAC Name 
octane-1-sulfonic acid
Registry NumbersSources
Beilstein:1764338Beilstein
CAS:3944-72-7ChemIDplus