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CHEBI:4674 - sodium docusate

ChEBI IDCHEBI:4674
ChEBI Namesodium docusate
Stars
Last Modified9 November 2017
DownloadsMolfile
FormulaC20H37O7S.Na
Net Charge0
Average Mass444.566
Monoisotopic Mass444.21577
SMILESCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
InChIKeyAPSBXTVYXVQYAB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium docusate (CHEBI:4674) is a organic sodium salt (CHEBI:38700)
Synonyms  Source
Docusate SodiumKEGG COMPOUND
Dioctyl sodium sulfosuccinateKEGG COMPOUND
Manual XrefsDatabases
D00305KEGG DRUG
Registry NumbersSources
CAS:577-11-7KEGG COMPOUND