(AlphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
- CAS
- 127852-28-2
- Formula
- C10H8F6O
- MW
- 258.16 g/mol
ZX-028063
Stable Isotope Labelled Standards (Deuterated, 13C, 15N)
Aprepitant-d4
Reference StandardAvailable on request
Aprepitant-d4 (CAS 1133387-60-6) supplier Zemixal: C23H21F7N4O3, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-028064.
CAS number1133387-60-6
FormulaC23H21F7N4O3
Molar mass538.5 g/mol
Physical formSolid
HS code38229090
InChIKeyATALOFNDEOCMKK-NSVJKUEGSA-N
IUPAC name3-[[(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
About Aprepitant-d4
Analytical teams working on Aprepitant use Aprepitant-d4 as a qualified comparison standard. Key data (Reference Standard): CAS 1133387-60-6, formula C23H21F7N4O3 and molar mass 538.5 g/mol. It is handled as a solid.
Typical applications
- LC-MS/MS internal standard
- Bioanalytical quantitation
- Pharmacokinetic studies
Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. Every shipment includes a certificate of analysis with characterisation data. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.
Reference standards for Aprepitant
See every impurity, metabolite and related compound we list for this API.
Aprepitant standardsTypical uses
- LC-MS/MS internal standard
- Bioanalytical quantitation
- Pharmacokinetic studies
Applications
Grade guides
Specifications and identifiers
| Product name | Aprepitant-d4 |
|---|---|
| Catalogue number | ZX-028064 |
| 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 |
| Molar mass | 538.5 g/mol |
| Exact mass | 538.1753 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | 4.2 |
| H-bond donors / acceptors | 2 / 12 |
| Topological polar surface area | 75.2 Ų |
| HS 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 |
| Synonyms | (Rac)-Aprepitant-d4, TMIJ-0155, rac-Aprepitant-d4 (and enantiomer) |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Aprepitant-d4
Which CAS number identifies Aprepitant-d4?
Aprepitant-d4 is registered under CAS 1133387-60-6. You may also see it listed as (Rac)-Aprepitant-d4, TMIJ-0155, rac-Aprepitant-d4 (and enantiomer). Our catalogue number for this item is ZX-028064.
What are the formula and molar mass of Aprepitant-d4?
For Aprepitant-d4, its formula is C23H21F7N4O3 and its molar mass is 538.5 g/mol. The systematic (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. InChIKey ATALOFNDEOCMKK-NSVJKUEGSA-N lets you match it in any structure database.
How is Aprepitant-d4 used in pharmaceutical QC?
Aprepitant-d4 is a characterised reference material linked to Aprepitant. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Aprepitant-d4?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Aprepitant-d4?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Aprepitant-d4 to my country?
Yes. Aprepitant-d4 ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.
More Aprepitant standards
More in Stable Isotope Labelled Standards (Deuterated, 13C, 15N)
(R)-6-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
- CAS
- 380499-07-0
- Formula
- C20H16F7NO2
- MW
- 435.3 g/mol
ZX-028061
(2R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone
- CAS
- 287930-75-0
- Formula
- C21H19F6NO3
- MW
- 447.4 g/mol
ZX-023352
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