rac–Aprepitant–d4

cas: 2748471-42-1 — see every product listed under this CAS number, including other names

rac–Aprepitant–d4 (CAS 2748471-42-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 500μg. Offered by: GLPBio.

brandGLPBio
catalog numberGC48999-1
cas2748471-42-1
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 3213.44 Pln
GLPBio 500μg 1968.43 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CAS 2748471-42-1) is a chemical compound with the molecular formula C23H21F7N4O3 and a molecular weight of 538.5 g/mol. IUPAC name: 3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one. InChIKey: ATALOFNDEOCMKK-QFFDRWTDSA-N.

Identity
Molecular formulaC23H21F7N4O3
Molecular weight538.5 g/mol
IUPAC name3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
InChIKeyATALOFNDEOCMKK-QFFDRWTDSA-N
SMILES[2H]C1=C(C(=C(C(=C1C2C(OCCN2CC3=NNC(=O)N3)OC(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)[2H])[2H])F)[2H]

Computed by PubChem (NCBI)

Synonyms: rac-Aprepitant-d4
Related forms of this compound
3-[[(2S,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2S,3R)-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 C23H21F7N4O3
3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2R,3R)-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 C23H21F7N4O3
3-[[(2R,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2S,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 C23H21F7N4O3
3-[[(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
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 C23H21F7N4O3
Isomers (same molecular formula)
3-[[(2R,3S)-2-[(1R)-1-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(3-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3

Also listed as

(Rac)-Aprepitant-d4 MedChemExpress CAS 2748471-42-1