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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | nedocromil sodium | |
| Synonyms |
disodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7493 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:4836698 KEGG:D00527 DrugBank:DB00716 CAS:69049-74-7
|
|
| formula |
C19H15NO7.2Na C19H15NNa2O7
|
|
| has part | ||
| has_exact_synonym |
disodium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:7493
|
|
| in_subset | ||
| inchi |
InChI=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
|
|
| inchikey |
JQEKDNLKIVGXAU-UHFFFAOYSA-L
|
|
| label |
nedocromil sodium
|
|
| mass |
415.30448
|
|
| monoisotopicmass |
415.06439
|
|
| notation |
CHEBI:7493
|
|
| prefLabel |
nedocromil sodium
|
|
| smiles |
[Na+].[Na+].CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C([O-])=O)C([O-])=O
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|
| treeView | ||
| subClassOf |
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