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Febuxostat chemical structure, C16H16N2O3S, CAS 144060-53-7
2D chemical structure

Key facts

What buyers check first

CAS number
144060-53-7
Formula
C16H16N2O3S
Molar mass
316.38 g/mol
EC number
682-158-6
HS code
293410
Category
Analgesics and anti-inflammatories

What is Febuxostat?

Plain description, key identifiers and synonyms

Febuxostat is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is a nitrile, an aromatic ether and a 1,3-thiazolemonocarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CAS number
144060-53-7 CAS number cross-checked
EC number
682-158-6
Molecular formula
C16H16N2O3S
UNII
101V0R1N2E
MDL number
MFCD00871598
InChIKey
BQSJTQLCZDPROO-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
SMILES (canonical and isomeric)
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O

Synonyms

  • Adenuric
  • Uloric
  • Tei 6720
  • Tei-6720
  • 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
  • TMX 67
  • Zurig
  • Febuxostatum
  • 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid
  • 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-
  • 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
  • 6720, TEI
  • Febuxostat tablets 40 mg
  • Febuxostat tablets 80 mg
  • 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid
  • Feburic
  • 2-(3-Cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid
  • 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid
  • Febuxostat (mart.)
  • Uloric (TN)
  • 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid
  • Donifoxate
  • Febuday
  • Goturic
Show all 34 synonyms
  • Febric
  • Goutex
  • Adenuric,
  • Goturic,
  • Uloric,
  • Feburic (TN)
  • 2-[3-Cyano-4-(2-methylpropoxyphenyl]-4-methyl-5-thiazolecarboxylic Acid-d7
  • Febuxostat (Uloric)
  • Febuxostat (Standard)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
316.38 g/molcalc.
Exact mass
316.0882 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
83.21 ร…ยฒcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2nccs2)cc1

c1ccc(-c2nccs2)cc1

2 rings, 11 atoms, the 2-Phenylthiazole ring system.

3,036 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H362May cause harm to breast-fed children.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Febuxostat suppliers

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Febuxostat price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Gout Suppressants

Roles

  • antihypertensive agent
  • antirheumatic drug
  • cardiovascular drug
  • enzyme inhibitor
  • gout suppressant
  • pharmaceutical
  • protective agent
  • renoprotective agent

Pharmacology

Febuxostat is a Xanthine Oxidase Inhibitor. The mechanism of action of febuxostat is as a Xanthine Oxidase Inhibitor.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Febuxostat is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in theโ€ฆ

World exports in 2024
$3.88B
โˆ’16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Febuxostat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Febuxostat, based on the data on this page

What is Febuxostat?

Febuxostat is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.

Is Febuxostat hazardous?

Febuxostat carries the GHS signal word "Warning". Main hazards: harmful if swallowed, may cause harm to breast-fed children, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle Febuxostat

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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