Molecular Identity
Nedocromil
9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
PubChem CID: 50294
Nedocromil is an organic heterotricyclic compound and a dicarboxylic acid. It has a role as a non-steroidal anti-inflammatory drug, an anti-asthmatic drug and an anti-allergic agent. It is a conjugate acid of a nedocromil(2-).
2D Structure
Properties
C19H17NO7
Molecular Formula
371.30
Molecular Weight
g/mol
371.1005
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
753
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)OIsomeric SMILES
SMILES: CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)OSynonyms(20)
NEDOCROMIL69049-73-6NedocromiloNedocromilumFPL 59002FPL-59002DTXSID70233569-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic acid0B535E0BN09-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)chinolin-2,8-dicarbonsaeure9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acidCHEBI:7492DTXCID803356Tilavist4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nedocromil
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