Molecular Identity
Cromolyn
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
PubChem CID: 2882
Cromoglycic acid is a dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer. It has a role as a calcium channel blocker and an anti-asthmatic drug. It is a member of chromones and a dicarboxylic acid. It is a conjugate acid of a cromoglycate(1-).
2D Structure
Properties
C23H16O11
Molecular Formula
468.40
Molecular Weight
g/mol
468.0693
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
166
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
835
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)OIsomeric SMILES
SMILES: C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)OSynonyms(20)
cromolynCromoglicic acid16110-51-3Cromoglycic acidCromoglicateAcido cromoglicicoAcide cromogliciqueAcidum cromoglicicumCromo-Comod5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acidY0TK0FS77W1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropaneR03BC01DTXSID4022860CHEBI:59773
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cromolyn
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