Products 1217676-37-3

CAS 1217676-37-3 appears in our catalog under these names: Aprepitant-13C2,d2 (Major), Aprepitant-13C2,d2. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg, 10 mg, 1 mg.

Aprepitant-13C2,d2 (Major)
TRC, MedChemExpress
  • size: 10mg, 1mg, 10 mg, 1 mg
  • Variants: 4
from 2525.59
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Aprepitant-13C2,d2
Biosynth
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one (CAS 1217676-37-3) is a chemical compound with the molecular formula C23H21F7N4O3 and a molecular weight of 538.4 g/mol. IUPAC name: 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one. InChIKey: ATALOFNDEOCMKK-IPWSJXMKSA-N.

Identity
Molecular formulaC23H21F7N4O3
Molecular weight538.4 g/mol
IUPAC name3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one
InChIKeyATALOFNDEOCMKK-IPWSJXMKSA-N
SMILES[2H]C[C@]([2H])(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)[13CH2][13C]3=NNC(=O)N3)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Aprepitant-13C2,d2 (Major)
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