CHEBI:32147 - sodium picosulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium picosulfate
ChEBI ID CHEBI:32147
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H13NO8S2.2Na
Net Charge 0
Average Mass 481.410
Monoisotopic Mass 480.98780
InChI InChI=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
InChIKey GOZDTZWAMGHLDY-UHFFFAOYSA-L
SMILES [Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS([O-])(=O)=O)cc1)c1ccccn1
ChEBI Ontology
Outgoing sodium picosulfate (CHEBI:32147) is a aryl sulfate (CHEBI:37919)
sodium picosulfate (CHEBI:32147) is a pyridines (CHEBI:26421)
Synonym Source
Sodium picosulfate KEGG COMPOUND
Manual Xref Database
C13072 KEGG COMPOUND
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Registry Number Type Source
10040-45-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014