Febuxostat

Description

Febuxostat · CAS 144060-53-7 · C16H16N2O3S. UNII 101V0R1N2E. Melting Point: 238-239°; Solubility: <1 mg/mL.

Identification

CAS Registry Number	144060-53-7
PubChem CID	134018
Molecular formula	C16H16N2O3S
IUPAC name	2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
UNII (FDA)	101V0R1N2E

Computed Descriptors

Molecular Weight	316.4
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	316.08816355
Monoisotopic Mass	316.08816355
Topological Polar Surface Area	111
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	238-239°
Solubility	<1 mg/mL

Physical description & handling notes

• 183.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8048650]
• 180.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 179.28 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 158.34 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 171.19 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 202.43 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

GHS notification summary	5.9% (1 / 17)

GHS Hazard Classification

GHS notification summary	5.9% (1 / 17)
Reported hazard statements	H302 (88.2%), H362 (11.8%), H373 (11.8%), H413 (17.6%)

Documented Uses

• Febuxostat is indicated for the chronic management of hyperuricemia in adult patients with gout who have an inadequate response to a maximally titrated dose of [allopurinol], who are intolerant to allopurinol, or for whom treatment with allopurinol is not advisable. It is not recommended for the treatment of asymptomatic hyperuricemia or secondary hyperuricemia.
• Febuxostat received approval from the Food and Drug Administration (FDA) in 2009.
• Febuxostat is a newly introduced nonpurine xanthine oxidase inhibitor used for the treatment of gout. Chronic febuxostat therapy has been associated with minor serum aminotransferase elevations, but has yet to be linked to cases of clinically apparent acute liver injury.
• Breast Feeding; Lactation; Milk, Human; Antigout Agents; Gout Suppressants
• Antigout Agents/Gout Suppressants
• Take with or without food. A high fat meal decreases Cmax and AUC in a clinically insignificant way.

Synonyms

Febuxostat; 144060-53-7; Adenuric; Uloric; TMX-67; Tei 6720; Tei-6720; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; TMX 67; Zurig; DTXSID8048650; Febuxostatum; NSC-758874; 101V0R1N2E; 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid; 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-

Frequently Asked Questions

What are the CAS number and molecular formula of Febuxostat?

CAS 144060-53-7; molecular formula C16H16N2O3S; molecular weight — g/mol.

What other names is Febuxostat known by?

Febuxostat, 144060-53-7, Adenuric, Uloric, TMX-67, Tei 6720.

Is Febuxostat classified as hazardous?

5.9% of GHS notifications report no hazard classification (1 of 17).

What are the key physical properties of Febuxostat?

Melting Point: 238-239°; Solubility: <1 mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.