NEDOCROMIL SODIUM

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Trade Names:
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Salt
UNII: ET8IF4KS1T
Parent Compound: NEDOCROMIL

Structure
InChI Key JQEKDNLKIVGXAU-UHFFFAOYSA-L
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
30.0
Immune system disorders
20.0
Cardiac disorders
10.0
General disorders and administration site conditions
10.0
Nervous system disorders
10.0
Psychiatric disorders
10.0
Skin and subcutaneous tissue disorders
10.0

Cross References

Resources Reference
ChEBI 7493
ChEMBL CHEMBL915
EPA CompTox DTXSID00219115
FDA SRS ET8IF4KS1T
PubChem 50295
SureChEMBL SCHEMBL24944
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