EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7493 - nedocromil sodium

ChEBI IDCHEBI:7493
ChEBI Namenedocromil sodium
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC19H15NO7.2Na
Net Charge0
Average Mass415.309
Monoisotopic Mass415.06439
SMILESCCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+]
InChIInChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2
InChIKeyJQEKDNLKIVGXAU-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
nedocromil sodium (CHEBI:7493) has part nedocromil(2−) (CHEBI:51029)
nedocromil sodium (CHEBI:7493) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
Manual XrefsDatabases
D00527KEGG DRUG
DB00716DrugBank
Registry NumbersSources
Beilstein:4836698Beilstein
CAS:69049-74-7ChemIDplus