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Thermo Scientific Chemicals Aprepitant

Catalog No. AC465310010
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250 mg
1 g
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Catalog No. Quantity
AC465310010 1 g
AC465312500 250 mg
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Catalog No. AC465310010 Supplier Thermo Scientific Chemicals Supplier No. 465310010
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Description

CAS: 170729-80-3 | C23H21F7N4O3, C23 H21 F7 N4 O3 | 534.44 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

CAS 170729-80-3
Molecular Formula C23 H21 F7 N4 O3

Specifications

Quantity 1 g
Solubility practically insoluble
Formula Weight 534.43
Physical Form Powder
Product Type Reagent
Purity ≥97.5% (HPLC)
InChI Key ATALOFNDEOCMKK-BYYRLHKVSA-N
SMILES C[C@@H](O[C@@H]1OCCN(CC2=NC(=O)NN2)[C@@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
IUPAC Name 5-{[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2,3-dihydro-1H-1,2,4-triazol-3-one
Molecular Weight (g/mol) 534.44
Chemical Name or Material Aprepitant
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RUO – Research Use Only