Febuxostat

Molecular Mass: 316.4 g/mol

Formula: C₁₆H₁₆N₂O₃S

Smiles: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

Synonymes:

Febuxostat, 144060-53-7, Adenuric, Uloric, TMX-67, Tei 6720, Tei-6720, TMX 67, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid, Zurig, Febuxostatum, NSC-758874, DTXSID8048650, 101V0R1N2E, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, DTXCID1028576, CHEBI:31596, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 2-(3-CYANO-4-ISOBUTOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid, TEI6720, 6720, TEI, RefChem:57913, Febuxostat tablets 40 mg, Febuxostat tablets 80 mg, M04AA03, 682-158-6, 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid, Feburic, MFCD00871598, Febuxostat (Uloric), 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, CHEMBL1164729, Febuxostat [USAN], NCGC00182059-02, 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid, SMR002529566, Uloric (TN), CAS-144060-53-7, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, Donifoxate, Febuday, Goturic, Febric, Goutex, Febuxostat [USAN:INN:BAN], UNII-101V0R1N2E, Adenuric, , Goturic, , Uloric, , Feburic (TN), 2-[3-Cyano-4-(2-methylpropoxyphenyl]-4-methyl-5-thiazolecarboxylic Acid-d7, Febuxostat (Standard), FEBUXOSTAT?, 111GE013, FEBUXOSTAT [MI], FEBUXOSTAT [INN], FEBUXOSTAT [JAN], S1547, FEBUXOSTAT [VANDF], 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid, FEBUXOSTAT [MART.], FEBUXOSTAT [WHO-DD], Febuxostat,Uloric, TMX-67, MLS004774136, MLS006011568, FEBUXOSTAT [EMA EPAR], SCHEMBL249339, Febuxostat - Bio-X trade mark, GTPL6817, orb1310305, orb3141276, Febuxostat (JP18/USAN/INN), FEBUXOSTAT [ORANGE BOOK], Febuxostat, >=98% (HPLC), SCHEMBL29398803, GLXC-05201, HMS3264C20, HMS3655C03, HMS3673M21, HMS3743I09, HMS3868J03, HMS5079I14, MX-67, Pharmakon1600-01504286, KBC53974, MSK10866, Tox21_113004, AC-425, BBL036503, BDBM50320491, EBC-08698, FD7322, HY-14268R, NSC758874, STL559020, AKOS015841695, Tox21_113004_1, BS-1018, CCG-213303, CS-0403, DB04854, FC10814, NSC 758874, PB33929, NCGC00182059-03, BC164443, HY-14268, SY053100, F0847, NS00004138, SW219283-1, D01206, EN300-122360, SBI-0653454.0001, AB01274796-01, AB01274796_02, AB01274796_03, F213321, Q417296, SR-01000940023, SR-01000940023-2, BRD-K48367671-001-01-8, BRD-K48367671-001-05-9, BRD-K48367671-001-06-7, Z1541759499, 2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid, 2-(3-cyano-4-isobutoxyphenyl)-4-methyl- 1,3-thiazole-5-carboxylic acid

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	293.15	-	27.0	[402]
Acetone	298.15	-	32.0	[402]
Acetone	303.15	-	39.46	[402]
Acetone	308.15	-	45.5	[402]
Acetone	313.15	-	54.55	[402]
Acetone	318.15	-	61.73	[402]
Acetone	323.15	-	67.62	[402]
Acetone	328.15	-	70.95	[402]
Ethanol	293.15	-	6.648	[402]
Ethanol	298.15	-	9.539	[402]
Ethanol	303.15	-	14.46	[402]
Ethanol	308.15	-	21.46	[402]
Ethanol	313.15	-	31.15	[402]
Ethanol	318.15	-	44.46	[402]
Ethanol	323.15	-	57.96	[402]
Ethanol	328.15	-	75.35	[402]
Ethyl acetate	293.15	-	12.21	[402]
Ethyl acetate	298.15	-	14.73	[402]
Ethyl acetate	303.15	-	16.56	[402]
Ethyl acetate	308.15	-	20.5	[402]
Ethyl acetate	313.15	-	23.19	[402]
Ethyl acetate	318.15	-	26.08	[402]
Ethyl acetate	323.15	-	30.52	[402]
Ethyl acetate	328.15	-	35.46	[402]
Methanol	293.15	-	4.094	[402]
Methanol	298.15	-	6.655	[402]
Methanol	303.15	-	9.032	[402]
Methanol	308.15	-	12.42	[402]
Methanol	313.15	-	17.52	[402]
Methanol	318.15	-	24.67	[402]
Methanol	323.15	-	34.07	[402]
Methanol	328.15	-	51.6	[402]

Molecule 3D descriptors

Descriptor	Value
PMI1	641.5345
PMI2	5435.9426
PMI3	5993.2450
NPR1	0.1070
NPR2	0.9070
RadiusOfGyration	4.3676
InertialShapeFactor	0.0014
Eccentricity	0.9943
Asphericity	0.7129
SpherocityIndex	0.0475
PBF	0.4517