Loxoprofen

CAS Number: 68767-14-6

Molecular Mass: 246.3 g/mol

Formula: C₁₅H₁₈O₃

Smiles: CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1

Synonymes:

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]-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	283.15	-	531.4	[354]
1,4-Dioxane	288.15	-	601.0	[354]
1,4-Dioxane	293.15	-	676.9	[354]
1,4-Dioxane	298.15	-	784.0	[354]
1,4-Dioxane	303.15	-	932.8	[354]
1,4-Dioxane	308.15	-	1062.5	[354]
1,4-Dioxane	313.15	-	1235.3	[354]
1,4-Dioxane	318.15	-	1443.2	[354]
1,4-Dioxane	323.15	-	1698.9	[354]
1,4-Dioxane	328.15	-	1916.7	[354]
1-Propanol	283.15	-	184.9	[354]
1-Propanol	288.15	-	227.5	[354]
1-Propanol	293.15	-	283.2	[354]
1-Propanol	298.15	-	325.9	[354]
1-Propanol	303.15	-	426.7	[354]
1-Propanol	308.15	-	524.1	[354]
1-Propanol	313.15	-	729.1	[354]
1-Propanol	318.15	-	923.8	[354]
1-Propanol	323.15	-	1177.7	[354]
1-Propanol	328.15	-	1620.5	[354]
Acetonitrile	283.15	-	113.9	[354]
Acetonitrile	288.15	-	144.3	[354]
Acetonitrile	293.15	-	177.0	[354]
Acetonitrile	298.15	-	204.0	[354]
Acetonitrile	303.15	-	290.0	[354]
Acetonitrile	308.15	-	425.0	[354]
Acetonitrile	313.15	-	582.3	[354]
Acetonitrile	318.15	-	900.5	[354]
Acetonitrile	323.15	-	1365.4	[354]
Acetonitrile	328.15	-	2085.2	[354]
Butyl acetate	283.15	-	55.16	[354]
Butyl acetate	288.15	-	65.58	[354]
Butyl acetate	293.15	-	81.58	[354]
Butyl acetate	298.15	-	103.3	[354]
Butyl acetate	303.15	-	122.2	[354]
Butyl acetate	308.15	-	152.0	[354]
Butyl acetate	313.15	-	194.1	[354]
Butyl acetate	318.15	-	252.1	[354]
Butyl acetate	323.15	-	332.9	[354]
Butyl acetate	328.15	-	462.8	[354]
Ethanol	283.15	-	259.3	[354]
Ethanol	288.15	-	307.5	[354]
Ethanol	293.15	-	325.9	[354]
Ethanol	298.15	-	437.3	[354]
Ethanol	303.15	-	587.6	[354]
Ethanol	308.15	-	754.3	[354]
Ethanol	313.15	-	1081.4	[354]
Ethanol	318.15	-	1384.3	[354]
Ethanol	323.15	-	1881.8	[354]
Ethanol	328.15	-	2578.1	[354]
Ethyl acetate	283.15	-	140.2	[354]
Ethyl acetate	288.15	-	167.6	[354]
Ethyl acetate	293.15	-	204.8	[354]
Ethyl acetate	298.15	-	231.6	[354]
Ethyl acetate	303.15	-	274.7	[354]
Ethyl acetate	308.15	-	367.6	[354]
Ethyl acetate	313.15	-	474.4	[354]
Ethyl acetate	318.15	-	569.3	[354]
Ethyl acetate	323.15	-	780.5	[354]
Ethyl acetate	328.15	-	1031.3	[354]
Isobutyl Acetate	283.15	-	50.21	[354]
Isobutyl Acetate	288.15	-	60.31	[354]
Isobutyl Acetate	293.15	-	68.54	[354]
Isobutyl Acetate	298.15	-	86.81	[354]
Isobutyl Acetate	303.15	-	113.2	[354]
Isobutyl Acetate	308.15	-	134.1	[354]
Isobutyl Acetate	313.15	-	181.5	[354]
Isobutyl Acetate	318.15	-	236.2	[354]
Isobutyl Acetate	323.15	-	299.6	[354]
Isobutyl Acetate	328.15	-	418.7	[354]
Isopropanol	283.15	-	203.8	[354]
Isopropanol	288.15	-	261.5	[354]
Isopropanol	293.15	-	308.3	[354]
Isopropanol	298.15	-	342.4	[354]
Isopropanol	303.15	-	466.7	[354]
Isopropanol	308.15	-	537.5	[354]
Isopropanol	313.15	-	734.2	[354]
Isopropanol	318.15	-	905.3	[354]
Isopropanol	323.15	-	1194.8	[354]
Isopropanol	328.15	-	1589.0	[354]
Methanol	283.15	-	459.2	[354]
Methanol	288.15	-	519.6	[354]
Methanol	293.15	-	599.1	[354]
Methanol	298.15	-	811.9	[354]
Methanol	303.15	-	1172.2	[354]
Methanol	308.15	-	1645.5	[354]
Methanol	313.15	-	2339.4	[354]
Methanol	318.15	-	3372.4	[354]
Methanol	323.15	-	5763.9	[354]
Methanol	328.15	-	9831.8	[354]
Methyl acetate	283.15	-	189.8	[354]
Methyl acetate	288.15	-	220.5	[354]
Methyl acetate	293.15	-	268.7	[354]
Methyl acetate	298.15	-	303.1	[354]
Methyl acetate	303.15	-	377.6	[354]
Methyl acetate	308.15	-	479.9	[354]
Methyl acetate	313.15	-	620.2	[354]
Methyl acetate	318.15	-	773.9	[354]
Methyl acetate	323.15	-	1018.1	[354]
Methyl acetate	328.15	-	1424.5	[354]
Propyl acetate	283.15	-	86.52	[354]
Propyl acetate	288.15	-	109.4	[354]
Propyl acetate	293.15	-	119.6	[354]
Propyl acetate	298.15	-	143.5	[354]
Propyl acetate	303.15	-	187.6	[354]
Propyl acetate	308.15	-	227.9	[354]
Propyl acetate	313.15	-	303.9	[354]
Propyl acetate	318.15	-	380.9	[354]
Propyl acetate	323.15	-	511.1	[354]
Propyl acetate	328.15	-	724.8	[354]
isopropyl acetate	283.15	-	65.61	[354]
isopropyl acetate	288.15	-	82.21	[354]
isopropyl acetate	293.15	-	97.61	[354]
isopropyl acetate	298.15	-	124.0	[354]
isopropyl acetate	303.15	-	154.8	[354]
isopropyl acetate	308.15	-	183.9	[354]
isopropyl acetate	313.15	-	252.5	[354]
isopropyl acetate	318.15	-	313.7	[354]
isopropyl acetate	323.15	-	430.9	[354]
isopropyl acetate	328.15	-	591.7	[354]

Molecule 3D descriptors

Descriptor	Value
PMI1	403.1217
PMI2	3239.5147
PMI3	3343.8522
NPR1	0.1206
NPR2	0.9688
RadiusOfGyration	3.7660
InertialShapeFactor	0.0024
Eccentricity	0.9927
Asphericity	0.6844
SpherocityIndex	0.1957
PBF	0.8702