CHEBI:51030 - nedocromil calcium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nedocromil calcium
ChEBI ID CHEBI:51030
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C19H15CaNO7
C19H15NO7.Ca
Net Charge 0
Average Mass 409.40294
Monoisotopic Mass 409.04744
InChI InChI=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
InChIKey FGUNXXYEYHFDNX-UHFFFAOYSA-L
SMILES [Ca++].CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
D05130 KEGG DRUG
DB00716 DrugBank
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Registry Number Type Source
101626-68-0 CAS Registry Number ChemIDplus
Last Modified
11 November 2008