Products 170902-81-5

CAS 170902-81-5 appears in our catalog under these names: Aprepitant Impurity 5(S,R,S-Isomer), Aprepitant Impurity O, Aprepitant impurity C, (1S,2R,3S)-Aprepitant, (1(S)-Phenylethoxy)-Aprepitant. Offered by: Hubei YoungXin, Chemat Brand, TRC. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, on request.

Aprepitant Impurity 5(S,R,S-Isomer)
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Aprepitant Impurity O
Chemat Brand
  • size: on request
  • Variants: 1
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Aprepitant impurity C
Chemat Brand
  • size: on request
  • Variants: 1
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(1S,2R,3S)-Aprepitant
Chemat Brand
  • size: on request
  • Variants: 1
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(1(S)-Phenylethoxy)-Aprepitant
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

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 (CAS 170902-81-5) is a chemical compound with the molecular formula C23H21F7N4O3 and a molecular weight of 534.4 g/mol. IUPAC name: 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. InChIKey: ATALOFNDEOCMKK-OCCQLPPTSA-N.

Identity
Molecular formulaC23H21F7N4O3
Molecular weight534.4 g/mol
IUPAC name3-[[(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
InChIKeyATALOFNDEOCMKK-OCCQLPPTSA-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: [1(S)-Phenylethoxy]-Aprepitant, Aprepitant Impurity O, Aprepitant (MK-0869), Aprepitant Impurity 6, Fosaprepitant Impurity 68, (1S,2R,3S)-Aprepitant, Aprepitant, (1S,2R,3S)-, ATALOFNDEOCMKK-OCCQLPPTSA-N, (2R,3R,4R,5S)-6-(hydroxy(methyl)amino)hexane-1,2,3,4,5-pentaol
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-[(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