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Aprepitant 98.0+%, TCI America™
SDP

Catalog No. A3135500MG Shop All Tokyo Chemical Industry (TCI) Products
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A3135100MG 100 mg
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Chemical Identifiers

CAS 170729-80-3
Molecular Formula C23H21F7N4O3
Molecular Weight (g/mol) 534.435
MDL Number MFCD08277635
InChI Key ATALOFNDEOCMKK-OITMNORJSA-N
Synonym 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
PubChem CID 6918365
ChEBI CHEBI:499361
IUPAC Name 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
SMILES CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F

Specifications

Melting Point 252°C
Color White
Quantity 500 mg
Formula Weight 534.43
Percent Purity ≥98.0% (HPLC)
Physical Form Crystalline Powder
Chemical Name or Material Aprepitant
RTECSNumber XZ5480400
TSCA No
Recommended Storage Refrigerator
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