Nedocromil sodiumProduct ingredient for Nedocromil

Show full entry for Nedocromil
Name
Nedocromil sodium
Drug Entry
Nedocromil

A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with asthma, including eosinophils, neutrophils, macrophages, mast cells, monocytes, and platelets.

See full entry for Nedocromil
Accession Number
DBSALT001179
Structure
Similar Structures
Synonyms
Not Available
UNII
ET8IF4KS1T
CAS Number
69049-74-7
Weight
Average: 415.309
Monoisotopic: 415.06439039
Chemical Formula
C19H15NNa2O7
InChI Key
JQEKDNLKIVGXAU-UHFFFAOYSA-L
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
IUPAC Name
disodium 9-ethyl-4,6-dioxo-10-propyl-4H,6H,9H-chromeno[7,6-b]pyridine-2,8-dicarboxylate
SMILES
[Na+].[Na+].CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C([O-])=O)C([O-])=O
ChemSpider
45609
ChEBI
7493
ChEMBL
CHEMBL915
Wikipedia
Nedocromil
Predicted Properties
PropertyValueSource
Water Solubility0.0808 mg/mLALOGPS
logP2.82ALOGPS
logP2.5Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)2.27Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area126.87 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119.76 m3·mol-1Chemaxon
Polarizability36.11 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon