ZOMEPIRAC SODIUM

Search structure
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y0185WZ209

Structure
InChI Key SEEXPXUCHVGZGU-UHFFFAOYSA-M
Smile Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1.[Na+]
InChI
InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17ClNNaO5
Molecular Weight 349.75
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 59.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL3989403
EPA CompTox DTXSID60214282
FDA SRS Y0185WZ209
PubChem 23663418
SureChEMBL SCHEMBL1764295
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