2D Structure
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2D chemical structural formula diagram.

3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Aprepitant product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 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
CAS Number 170729-80-3
Molecular Formula

C23H21F7N4O3
Molecular Weight (MW) 534.43
SMILES CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
InChIKey ATALOFNDEOCMKK-OITMNORJSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 107 mg/mL (200.21 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 15 mg/mL
Water Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

Aliquotting Service

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Pre-aliquoted for Longevity: Solid-state aliquots offer significantly longer shelf life compared to stock solutions, ensuring maximum stability for every use.

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Note: Technical data last updated: Sep 1, 2026.