Aprepitant
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Product Description
Product
Aprepitant
CAS
170729-80-3
Formula
C23H21F7N4O3
Synonym
3-(((2R,3S)-3-(P-Fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(2)-1,2,4-triazolin-5-one, Aprepitant, Apré pitant, Aprepitantum, 5-([(2R,3S)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluorophenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one
Typical Product Specifications
Molecular weight
534.427
Assay/Purity
Typically NLT 98%
Chemical Structure
Notes
Aprepitant is classified as an: Active Pharmaceutical Ingredient (API) / Pharmaceutical Intermediate
SMILES: C[C,,H](O[C,H]1OCCN(CC2=NNC(=O)N2)[C,H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
SMILES: C[C,,H](O[C,H]1OCCN(CC2=NNC(=O)N2)[C,H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Class
Industry
Aprepitant
Product Description
Product
Aprepitant
CAS
170729-80-3
Formula
C23H21F7N4O3
Synonym
3-(((2R,3S)-3-(P-Fluorophenyl)-2-(((alphar)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(2)-1,2,4-triazolin-5-one, Aprepitant, Apré pitant, Aprepitantum, 5-([(2R,3S)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluorophenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one
Typical Product Specifications
Molecular weight
534.427
Assay/Purity
Typically NLT 98%
Chemical Structure
Notes
Aprepitant is classified as an: Active Pharmaceutical Ingredient (API) / Pharmaceutical Intermediate
SMILES: C[C,,H](O[C,H]1OCCN(CC2=NNC(=O)N2)[C,H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
SMILES: C[C,,H](O[C,H]1OCCN(CC2=NNC(=O)N2)[C,H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Class
Industry
