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CHEBI:59773 - cromoglycic acid

ChEBI IDCHEBI:59773
ChEBI Namecromoglycic acid
Stars
DefinitionA dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer.
Secondary ChEBI IDCHEBI:107725
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H16O11
Net Charge0
Average Mass468.370
Monoisotopic Mass468.06926
SMILESO=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
InChIInChI=1S/C23H16O11/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)
InChIKeyIMZMKUWMOSJXDT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
Application:
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
cromoglycic acid (CHEBI:59773) has role anti-asthmatic drug (CHEBI:49167)
cromoglycic acid (CHEBI:59773) has role calcium channel blocker (CHEBI:38215)
cromoglycic acid (CHEBI:59773) is a chromones (CHEBI:23238)
cromoglycic acid (CHEBI:59773) is a dicarboxylic acid (CHEBI:35692)
cromoglycic acid (CHEBI:59773) is conjugate acid of cromoglycate(1−) (CHEBI:59774)
Incoming Relation(s)
cromoglycate(1−) (CHEBI:59774) is conjugate base of cromoglycic acid (CHEBI:59773)
IUPAC Name 
5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylic acid)
INNs  Source
cromoglicic acidChemIDplus
acidum cromoglicicumChemIDplus
acido cromoglicicoChemIDplus
acide cromogliciqueChemIDplus
Synonyms  Source
5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acidChEMBL
CromolynChemIDplus
Cromoglicic acidKEGG COMPOUND
Manual XrefsDatabases
C06928KEGG COMPOUND
D07753KEGG DRUG
DB01003DrugBank
NL6603997Patent
US3419578Patent
HMDB0015138HMDB
LSM-5370LINCS
741DrugCentral
Registry NumbersSources
Reaxys:1336926Reaxys
CAS:16110-51-3ChemIDplus
CAS:16110-51-3KEGG COMPOUND
Citations