NEDOCROMIL SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ET8IF4KS1T
EPA CompTox DTXSID00219115
Parent Compound: NEDOCROMIL

Structure

InChI Key JQEKDNLKIVGXAU-UHFFFAOYSA-L
Smiles CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+]
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15NNa2O7
Molecular Weight 415.31
AlogP 2.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 126.81
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 60

Cross References

Resources Reference
ChEBI 7493
ChEMBL CHEMBL915
FDA SRS ET8IF4KS1T
PubChem 50295
SureChEMBL SCHEMBL24944
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