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API Reference Standards

Aprepitant

Reference StandardIn stock

Order Aprepitant (CAS 170729-80-3) online at Zemixal. Request a quote with price, lead time and documents. Quotes within one business day.

Pack sizes
Aprepitant chemical structure
CAS number170729-80-3
FormulaC23H21F7N4O3
Molar mass534.4 g/mol
Physical formSolid
HS code38229090
InChIKeyATALOFNDEOCMKK-OITMNORJSA-N
IUPAC name3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

About Aprepitant

Analytical teams working on Aprepitant use Aprepitant as a qualified comparison standard. Key data (Reference Standard): CAS 170729-80-3, formula C23H21F7N4O3 and molar mass 534.4 g/mol. It is handled as a solid.

Typical applications

  • Identification & assay
  • Method development & validation
  • QC reference material

Safe handling

It carries the GHS signal word Warning (H319, H351, H373 and H410), so wear gloves and eye protection and work with good ventilation.

Order it in 10 mg, 25 mg, 50 mg, 100 mg and 250 mg packs or ask for a bulk quotation. You receive a certificate of analysis with characterisation data with each order. 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 standards

Typical uses

  • Identification & assay
  • Method development & validation
  • QC reference material

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of Aprepitant
Product nameAprepitant
Catalogue numberZX-006397
CAS number170729-80-3
IUPAC name3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular formulaC23H21F7N4O3
Molar mass534.4 g/mol
Exact mass534.1502
GradeReference Standard
Physical formSolid
XLogP34.2
H-bond donors / acceptors2 / 12
Topological polar surface area75.2 Ų
HS code38229090
InChIKeyATALOFNDEOCMKK-OITMNORJSA-N
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
PubChem CID135413536
SynonymsEmend, MK-869, ONO-7436, MK 869, Emend (TN), Aprepitant (MK-0869), Aprepitant CRS, Cinvanti (TN), aprepitant, form I, Aponvie (TN), aprepitant, form II, Aprepitant (Standard)

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Warning

  • H319Causes serious eye irritation
  • H351Suspected of causing cancer
  • H373May causes damage to organs through prolonged or repeated exposure
  • H410Very toxic to aquatic life with long lasting effects

Precautionary statements P203, P260, P264 + P265, P273, P280, P305 + P351 + P338, P318, P319, P337 + P317, P391, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Aprepitant
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request
250 mgQuoted on request
500 mgQuoted on request
1 gQuoted 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

Which CAS number identifies Aprepitant?
Aprepitant is registered under CAS 170729-80-3. You may also see it listed as Emend, MK-869, ONO-7436. Our catalogue number for this item is ZX-006397.
What are the formula and molar mass of Aprepitant?
For Aprepitant, its formula is C23H21F7N4O3 and its molar mass is 534.4 g/mol. The systematic (IUPAC) name is 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one. InChIKey ATALOFNDEOCMKK-OITMNORJSA-N lets you match it in any structure database.
How is Aprepitant used in pharmaceutical QC?
Aprepitant 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?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Aprepitant?
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 to my country?
Yes. Because Aprepitant is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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