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Analgesics and anti-inflammatories

Rofecoxib

Also known as Vioxx, Ceoxx, 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one

CAS 162011-90-7Formula C17H14O4SMolar mass 314.36 g/molEC 803-260-0
GHS signal word: Warning. Pictograms: Harmful or irritant 80 suppliers listed
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Rofecoxib chemical structure, C17H14O4S, CAS 162011-90-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
162011-90-7
Formula
C17H14O4S
Appearance
White to off-white to light yellow powder
Solubility
Sparingly soluble in acetone, slightly soluble in methanol and isopropyl acetate, very s…
HS code
293220
Category
Analgesics and anti-inflammatories
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Rofecoxib?

Plain description, key identifiers and synonyms

Rofecoxib is a butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke. It has a role as a non-steroidal anti-inflammatory drug, an analgesic and a cyclooxygenase 2 inhibitor. It is a sulfone and a butenolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CAS number
162011-90-7 CAS number cross-checked
EC number
803-260-0
Molecular formula
C17H14O4S
UNII
0QTW8Z7MCR
MDL number
MFCD00935806
InChIKey
RZJQGNCSTQAWON-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
SMILES (canonical and isomeric)
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

Synonyms

  • Vioxx
  • Ceoxx
  • 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one
  • MK 966
  • 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
  • Vioxx Dolor
  • 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
  • rofecoxibum
  • 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
  • 4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
  • 4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one
  • 3-phenyl-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
  • 4-(4'-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
  • 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
  • MK 0966
  • 2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-
  • 4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
  • 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one
  • refecoxib
  • Vioxx-d5 (Major)
  • 2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-
  • ceeoxx
  • Vioxx (trademark)
  • Vioxx (TN)
  • Rofecoxib (JAN/USAN/INN)
Show all 30 synonyms
  • 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone
  • Ceoxx,
  • Vioxx,
  • Rofecoxib (Standard)
  • MK 0996

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

Appearance
White to off-white to light yellow powderexp.
Solubility
Sparingly soluble in acetone, slightly soluble in methanol and isopropyl acetate, very slightly soluble in ethanol, practically insoluble in octanol, and insoluble in water.exp.
Vapour pressure
3.2 × 10⁻⁹ mm Hg at 25 °C /Estimated/exp.

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
314.36 g/molcalc.
Exact mass
314.0613 Dacalc.
LogP (octanol/water)
2.56calc.
Topological polar surface area
60.44 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.12calc.
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, O=C1OCC(c2ccccc2)=C1c1ccccc1

O=C1OCC(c2ccccc2)=C1c1ccccc1

3 rings, 18 atoms, the 3,4-Diphenyl-5H-furan-2-one ring system.

30 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

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • 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

Rofecoxib suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 80 suppliers
30 of 30 offers

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Where suppliers are based

80 suppliers in 14 countries

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Rofecoxib 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

Medication: anti-inflammatory.

Use classes: Pharmaceuticals.

Pharmacological actions

  • Cyclooxygenase 2 Inhibitors

Roles

  • analgesic
  • anti-inflammatory agent
  • anti-inflammatory drug
  • antineoplastic agent
  • antirheumatic drug
  • cyclooxygenase 2 inhibitor
  • enzyme inhibitor
  • non-steroidal anti-inflammatory drug
  • pharmaceutical

Pharmacology

Rofecoxib is a synthetic, nonsteroidal derivative of phenyl-furanone with antiinflammatory, antipyretic and analgesic properties and potential antineoplastic properties. Rofecoxib binds to and inhibits the enzyme cyclooxygenase-2 (COX-2), resulting in an inhibition of the conversion of arachidonic acid to prostaglandins. COX-related metabolic pathways may represent key regulators of cell proliferation and neo-angiogenesis. Some epithelial tumor cell types overexpress pro-angiogenic COX-2. (NCI04)

How it is made

Condensation of phenylacetic acid with ethyl bromoacetate in the presence of triethylamine in THF yields ethyl 2-(phenylacetoxy)acetate, which is cyclized to the hydroxyfuranone using potassium tert-butoxide in tert-butanol. The reaction with trifluorosulfonyl anhydride and diisopropylethylamine in CH2Cl2 affords the corresponding trifluorosulfonate, which by reaction with LiBr in hot acetone yields the bromofuranone. The coupling with 4-(methylsulfanyl)phenylboronic acid with Na2CO3 and Pd[(C6H5)3P]4 as catalysts in hot toluene gives 4-[4-(methylsulfanyl)phenyl]-3-phenylfuran-2(5H)-one, which is finally oxidized with 2KHSO5.KHSO4.K2SO4(oxone)

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Rofecoxib?

Rofecoxib is a butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4.

What is the CAS number of Rofecoxib?

The CAS registry number of Rofecoxib is 162011-90-7.

What is the molecular formula and weight of Rofecoxib?

The molecular formula of Rofecoxib is C17H14O4S and its molar mass is 314.36 g/mol.

What is Rofecoxib used for?

Medication: anti-inflammatory. Use classes: Pharmaceuticals.

Is Rofecoxib hazardous?

Rofecoxib carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Rofecoxib?

Rofecoxib is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rofecoxib?

CompoundList lists 80 suppliers of Rofecoxib in United States, China, Germany, United Kingdom and 10 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Rofecoxib?

Suppliers quote Rofecoxib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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

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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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