Products 1148113-53-4

CAS 1148113-53-4 appears in our catalog under these names: (1R,2R,3R)-Aprepitant, Aprepitant impurity A, 3-(((2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one ((R,R,R)-Aprepitant), (R,R,R)-Aprepitant, (R,R,R)-Aprepitant, 95%, 95%. Offered by: Chemat Brand, Mikromol, Biosynth, Chemat, Fluorochem. Available pack sizes: on request, 25mg, 100mg, 10mg, 50mg.

(1R,2R,3R)-Aprepitant
Chemat Brand
  • size: on request
  • Variants: 1
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Aprepitant impurity A
Chemat Brand
  • size: on request
  • Variants: 1
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3-(((2R,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one ((R,R,R)-Aprepitant)
Mikromol
  • size: 25mg, 100mg
  • Variants: 2
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(R,R,R)-Aprepitant
Biosynth
  • size: 25mg, 10mg, 50mg, 100mg
  • Variants: 4
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(R,R,R)-Aprepitant, 95%, 95%
Chemat
  • size: 10mg, 25mg, 100mg
  • Variants: 3
from 1182.80
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5-(((2R,3R)-2-((R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)MORPHOLINO)METHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE, 95%
Fluorochem
  • size: 100mg
  • Variants: 1
from 5397.08
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Structural formula: {0} (CAS {1})

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 (CAS 1148113-53-4) is a chemical compound with the molecular formula C23H21F7N4O3 and a molecular weight of 534.4 g/mol. IUPAC name: 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. InChIKey: ATALOFNDEOCMKK-TVNIXMEMSA-N.

Identity
Molecular formulaC23H21F7N4O3
Molecular weight534.4 g/mol
IUPAC name3-[[(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
InChIKeyATALOFNDEOCMKK-TVNIXMEMSA-N
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: (R,R,R)-Aprepitant, (1R,2R,3R)-Aprepitant, Aprepitant Impurity J, Aprepitant, (R,R,R)-, Fosaprepitant Impurity 66, Aprepitant Impurity J; Fosaprepitant Impurity E
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-[(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
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 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