Aprepitant-d4

Name: Aprepitant-d4
Brand: Vaqora Chemicals
SKU: VQ-029209

About Aprepitant-d4

Aprepitant-d4 is a stable isotope labelled analogue related to Aprepitant carrying the CAS registry number 1133387-60-6. Its molecular formula is C23H21F7N4O3 and its molecular weight is 538.5 g/mol. Common synonyms include (Rac)-Aprepitant-d4 and TMIJ-0155.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

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

Vaqora Chemicals supplies Aprepitant-d4 in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Aprepitant

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

Aprepitant impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Aprepitant-d4
Catalogue No.	VQ-029209
CAS Number	1133387-60-6
IUPAC name	3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular formula	C₂₃H₂₁F₇N₄O₃
Molecular weight	538.5 g/mol
Exact mass	538.1753
Grade	Reference Standard
HSN code	38229090
InChIKey	ATALOFNDEOCMKK-NSVJKUEGSA-N
SMILES	[2H]C1=C(C(=C(C(=C1[C@H]2[C@H](OCCN2CC3=NNC(=O)N3)O[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)[2H])[2H])F)[2H]
PubChem CID	135872779

Physical properties
Physical form	Solid
LogP (XLogP3)	4.2
H-bond donors / acceptors	2 / 12
TPSA	75.2 Å²

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 Aprepitant-d4?

The CAS Registry Number of Aprepitant-d4 is 1133387-60-6. It is also known as (Rac)-Aprepitant-d4, TMIJ-0155, rac-Aprepitant-d4 (and enantiomer).

What is the molecular formula and molecular weight of Aprepitant-d4?

Aprepitant-d4 has the molecular formula C23H21F7N4O3 and a molecular weight of 538.5 g/mol. Its IUPAC name is 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

What is Aprepitant-d4 used for?

Aprepitant-d4 is supplied as a characterised reference material related to Aprepitant. 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 Aprepitant-d4 can I order?

We supply Aprepitant-d4 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 Aprepitant-d4?

Yes. Every lot of Aprepitant-d4 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 Aprepitant-d4 be shipped internationally?

Yes. We export Aprepitant-d4 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.