Ibuprofen 13C,d3

About Ibuprofen 13C,d3

Ibuprofen 13C,d3 is a stable isotope labelled analogue related to Ibuprofen carrying the CAS registry number 1261394-40-4. With the molecular formula C13H18O2, it has a molar mass of 210.29 g/mol. Its systematic (IUPAC) name is 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl](313C)propanoic acid. It is also known as TMID-0678.

The product is provided 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.

This isotope-labelled compound is used as an internal standard for LC-MS and LC-MS/MS quantitation of Ibuprofen and related analytes in bioanalytical, pharmacokinetic and impurity studies. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Ibuprofen 13C,d3 is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Ibuprofen

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

Ibuprofen impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Ibuprofen 13C,d3
Catalogue No.	VQ-037642
CAS Number	1261394-40-4
IUPAC name	3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl](313C)propanoic acid
Molecular formula	C₁₃H₁₈O₂
Molecular weight	210.29 g/mol
Exact mass	210.1529
Grade	Reference Standard
HSN code	38229090
InChIKey	HEFNNWSXXWATRW-LBDFIVMYSA-N
SMILES	[2H][13C]([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O
PubChem CID	49849734

Physical properties
Physical form	Solid
LogP (XLogP3)	3.5
H-bond donors / acceptors	1 / 2
TPSA	37.3 Å²

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 Ibuprofen 13C,d3?

The CAS Registry Number of Ibuprofen 13C,d3 is 1261394-40-4. It is also known as a-Methyl-13C,d3-4-(isobutyl)phenylacetic Acid, [13C,2H3]-Ibuprofen, TMID-0678.

What is the molecular formula and molecular weight of Ibuprofen 13C,d3?

Ibuprofen 13C,d3 has the molecular formula C13H18O2 and a molecular weight of 210.29 g/mol. Its IUPAC name is 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl](313C)propanoic acid.

What is Ibuprofen 13C,d3 used for?

Ibuprofen 13C,d3 is supplied as a characterised reference material related to Ibuprofen. 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 Ibuprofen 13C,d3 can I order?

We supply Ibuprofen 13C,d3 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 Ibuprofen 13C,d3?

Yes. Every lot of Ibuprofen 13C,d3 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 Ibuprofen 13C,d3 be shipped internationally?

Yes. Ibuprofen 13C,d3 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.