Celecoxib carboxylic acid

Name: Celecoxib carboxylic acid
Brand: Vaqora Chemicals
SKU: VQ-021124

About Celecoxib carboxylic acid

Vaqora Chemicals supplies Celecoxib carboxylic acid, a metabolite or degradation product of Celecoxib registered under CAS number 170571-01-4. Its molecular formula is C17H12F3N3O4S and its molecular weight is 411.4 g/mol. Its systematic (IUPAC) name is 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoic acid. Common synonyms include Celecoxib metabolite M2 and Carboxylic acid celecoxib.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 1 hazard statement. Review the Safety Data Sheet before use.

It is used in metabolite identification, stability-indicating method development and impurity profiling of Celecoxib, as well as in QC testing and ANDA/DMF documentation. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Celecoxib

View every impurity, metabolite and intermediate we list for Celecoxib.

Celecoxib impurities

Specifications & identifiers

Chemical identifiers
Product name	Celecoxib carboxylic acid
Catalogue No.	VQ-021124
CAS Number	170571-01-4
IUPAC name	4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoic acid
Molecular formula	C₁₇H₁₂F₃N₃O₄S
Molecular weight	411.4 g/mol
Exact mass	411.0501
Grade	Reference Standard
HSN code	38229090
InChIKey	WTHNOVFEXONZMI-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O
PubChem CID	10047220

Physical properties
Physical form	Solid
LogP (XLogP3)	2.6
H-bond donors / acceptors	2 / 9
TPSA	124 Å²
Synonyms	Celecoxib metabolite M2, 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid, 4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid, 4-[1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid, 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic Acid, Carboxylic acid celecoxib, 4-(1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid, 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid, Benzoic acid,4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-, 4-[2-(4-sulamoylphenyl)-5-(triluoromethyl)pyrazol-3-yl]benzoic acid, 4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzoic acid, 4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]-benzoic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements: P264, P270, P301 + P317, P330, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Celecoxib carboxylic acid?

The CAS Registry Number of Celecoxib carboxylic acid is 170571-01-4. It is also known as Celecoxib metabolite M2, 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid, 4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic Acid.

What is the molecular formula and molecular weight of Celecoxib carboxylic acid?

Celecoxib carboxylic acid has the molecular formula C17H12F3N3O4S and a molecular weight of 411.4 g/mol. Its IUPAC name is 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoic acid.

What is Celecoxib carboxylic acid used for?

Celecoxib carboxylic acid is supplied as a characterised reference material related to Celecoxib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Celecoxib carboxylic acid can I order?

We supply Celecoxib carboxylic acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Celecoxib carboxylic acid?

Yes. Every lot of Celecoxib carboxylic acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Celecoxib carboxylic acid be shipped internationally?

Yes. Celecoxib carboxylic acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.