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CHEBI:51030 - nedocromil calcium

ChEBI IDCHEBI:51030
ChEBI Namenedocromil calcium
Stars
Last Modified11 November 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaC19H15NO7.Ca
Net Charge0
Average Mass409.407
Monoisotopic Mass409.04744
SMILESCCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Ca+2]
InChIInChI=1S/C19H17NO7.Ca/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/p-2
InChIKeyFGUNXXYEYHFDNX-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
nedocromil calcium (CHEBI:51030) has part nedocromil(2−) (CHEBI:51029)
nedocromil calcium (CHEBI:51030) is a organic calcium salt (CHEBI:51031)
IUPAC Name 
calcium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
Synonym  Source
4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, calcium salt (1:1)ChemIDplus
Manual XrefsDatabases
D05130KEGG DRUG
DB00716DrugBank
Registry NumbersSources
CAS:101626-68-0ChemIDplus