Compound: Loxoprofen
SMILES: O=C1C(CCC1)Cc2ccc(C(C(=O)O)C)cc2
InChIKey: YMBXTVYHTMGZDW-UHFFFAOYSA-N
Synonyms: Loxoprofen, 68767-14-6, 2-(4-((2-Oxocyclopentyl)methyl)phenyl)propanoic acid, Loxoprofene, Loxoprofeno, Loxoprofen acid, Loxoprofenum, 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid, 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid, 3583H0GZAP, DTXSID1045164, DTXCID9025164, CHEBI:76172, CS-600, 2-(4-((2-oxocyclopentyl)methyl)phenyl)propionic acid, 2-OCPPP, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid, alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrate, RefChem:924941, Koloxo, Loxoprofen [INN], MFCD00864331, alpha-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid, CHEMBL19299, Loxoprofen sodium hydrate, Loxoprofen (INN), NCGC00015594-02, Loxoprofene [French], Loxoprofenum [Latin], Loxoprofeno [Spanish], CAS-68767-14-6, 2-{4-[(2-Oxocyclopentan-1-yl)methyl]phenyl}propionic acid, UNII-3583H0GZAP, 2-(4-((2-OXOCYCLOPENTAN-1-YL)METHYL)PHENYL)PROPIONIC ACID, Loxoprofen, solid, Loxoprofen (Standard), LOXOPROFEN [MI], LOXOPROFEN [WHO-DD], Lopac0_000677, SCHEMBL24423, (+-)-p-((2-Oxocyclopentyl)methyl)hydratropic acid, orb1310588, HY-B0578R, GLXC-07940, HMS3262G15, HMS3885N16, HMS5083K14, HY-B0578, Tox21_110178, Tox21_500677, BDBM50140320, EBC-26306, s4682, AKOS015906359, Tox21_110178_1, AC-8108, CCG-204763, DB09212, GS-3193, LP00677, SDCCGSBI-0050656.P002, NCGC00015594-03, NCGC00015594-04, NCGC00015594-08, NCGC00015594-09, NCGC00094037-01, NCGC00094037-02, NCGC00261362-01, NCGC00263577-01, AC-15776, FL172228, FL172231, SY113439, DB-055188, EU-0100677, L0244, NS00002488, T0463, D08149, EN300-249698, L 0664, (+-)-((2-oxocyclopentyl)methyl)hydratropic acid, F093438, SR-01000075955, Q-201324, Q-300011, Q2759348, SR-01000075955-1, BRD-A43082555-001-01-1, BRD-A43082555-001-02-9, 2-(4-((2-Oxocyclopentyl)methyl)-phenyl)propanoic acid, 2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic acid, 2-[4-(2-oxocyclopentan-1-ylmethyl)phenyl]propionic acid, (+/-)-P-((2-OXOCYCLOPENTYL)METHYL)HYDRATROPIC ACID, 2-[4-(2-Oxocyclopentan-1-ylmethyl)phenyl]-propionic Acid, Benzeneacetic acid, .alpha.-methyl-4-[(2-oxocyclopentyl)methyl]-
Theoretical properties:
molecular_formula: C15H18O3
molecular_weight: 246.30 g/mol
exact_mass: 246.125594432 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 18
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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-).
chebi: 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 <i>trans</i>-alcohol metabolite following oral administration.
chembl: LOXOPROFEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Loxoprofen is a nonsteroidal anti-inflammatory drug (NSAID) in the propionic acid derivatives group, which also includes ibuprofen and naproxen among others. It is available in some countries for oral administration. A transdermal preparation was approved for sale in Japan in January 2006; medicated tape and gel formulations followed in 2008 and 2010.
It was patented in 1977 and approved for medical use in 1986.