Trade Names:
Synonyms:
Status: Approved (2002)
Entry Type: Small molecule
Molecule Category: Salt
UNII: ML56O2Z92I
Parent Compound: OXAPROZIN

Structure

InChI Key QTAQWNSMRSLSCG-UHFFFAOYSA-M
Smile O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[K+]
InChI
InChI=1S/C18H15NO3.K/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,20,21);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14KNO3
Molecular Weight 331.41
AlogP 4.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.33
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed PubMed DailyMed

Metabolites

visNetwork

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1200463
EPA CompTox DTXSID70169754
FDA SRS ML56O2Z92I
PubChem 23694685
SureChEMBL SCHEMBL8190699