CAS RN 170729-80-3
CAS RN 170729-80-3
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
Synonyms:
aprepitant
Molecular Weight (g/mol):
534.44
Molecular Formula:
C23H21F7N4O3
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
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1
Thermo Scientific Chemicals Aprepitant
CAS: 170729-80-3 Molecular Formula: C23H21F7N4O3
2
Tocris Bioscience™ Aprepitant
Potent long-acting hNK-1 antagonist
3
Aprepitant 98.0+%, TCI America™
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