Molecular Identity
Loxoprofen
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
PubChem CID: 3965
Loxoprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a prodrug. It is a monocarboxylic acid and a member of cyclopentanones. It is functionally related to a propionic acid. It is a conjugate acid of a loxoprofen(1-).
2D Structure
Properties
C15H18O3
Molecular Formula
246.30
Molecular Weight
g/mol
246.1256
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
316
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Loxoprofen68767-14-62-(4-((2-Oxocyclopentyl)methyl)phenyl)propanoic acidLoxoprofeneLoxoprofenoLoxoprofen acidLoxoprofenum2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid3583H0GZAPDTXSID1045164DTXCID9025164CHEBI:76172CS-6002-(4-((2-oxocyclopentyl)methyl)phenyl)propionic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Loxoprofen
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