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CHEBI:128458 - disodium cromoglycate

ChEBI IDCHEBI:128458
ChEBI Namedisodium cromoglycate
Stars
DefinitionAn organic sodium salt that is the disodium salt of cromoglycic acid.
Secondary ChEBI IDsCHEBI:3922, CHEBI:3923, CHEBI:106480
Last Modified4 March 2019
DownloadsMolfile
FormulaC23H14O11.2Na
Net Charge0
Average Mass512.334
Monoisotopic Mass512.03315
SMILESO=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]
InChIInChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2
InChIKeyVLARUOGDXDTHEH-UHFFFAOYSA-L
Roles Classification
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Applications:
drug allergen  Any drug which causes the onset of an allergic reaction.
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
disodium cromoglycate (CHEBI:128458) has part cromoglycate(2−) (CHEBI:59039)
disodium cromoglycate (CHEBI:128458) has role anti-asthmatic drug (CHEBI:49167)
disodium cromoglycate (CHEBI:128458) has role drug allergen (CHEBI:88188)
disodium cromoglycate (CHEBI:128458) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)
Synonyms  Source
Sodium salt of 5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acidChEMBL
disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylateChEMBL
disodium cromoglycateChEMBL
disodium 5-[3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylateChEMBL
DSCGChEMBL
FPL-670ChEMBL
Manual XrefsDatabases
D00526KEGG DRUG
Registry NumbersSources
Beilstein:3647577Beilstein
CAS:15826-37-6KEGG DRUG
CAS:15826-37-6ChemIDplus
Citations