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CHEBI:32147 - sodium picosulfate

ChEBI IDCHEBI:32147
ChEBI Namesodium picosulfate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H13NO8S2.2Na
Net Charge0
Average Mass481.415
Monoisotopic Mass480.98780
SMILESO=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]
InChIInChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChIKeyGOZDTZWAMGHLDY-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
sodium picosulfate (CHEBI:32147) is a aryl sulfate (CHEBI:37919)
sodium picosulfate (CHEBI:32147) is a pyridines (CHEBI:26421)
Synonym  Source
Sodium picosulfateKEGG COMPOUND
Manual XrefsDatabases
C13072KEGG COMPOUND
Registry NumbersSources
CAS:10040-45-6KEGG COMPOUND