EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:51029 - nedocromil(2−)

ChEBI IDCHEBI:51029
ChEBI Namenedocromil(2−)
Stars
ASCII Namenedocromil(2-)
Last Modified5 February 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC19H15NO7
Net Charge-2
Average Mass369.329
Monoisotopic Mass369.08595
SMILESCCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12
InChIInChI=1S/C19H17NO7/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)/p-2
InChIKeyRQTOOFIXOKYGAN-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
nedocromil(2−) (CHEBI:51029) is a carboxylic acid dianion (CHEBI:38716)
nedocromil(2−) (CHEBI:51029) is conjugate base of nedocromil (CHEBI:7492)
Incoming Relation(s)
nedocromil calcium (CHEBI:51030) has part nedocromil(2−) (CHEBI:51029)
nedocromil sodium (CHEBI:7493) has part nedocromil(2−) (CHEBI:51029)
nedocromil (CHEBI:7492) is conjugate acid of nedocromil(2−) (CHEBI:51029)
IUPAC Name 
9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
Registry NumbersSources
Beilstein:4829839Beilstein