Products 1246818-95-0

CAS 1246818-95-0 appears in our catalog under these names: Posaconazole Impurity 68-d4, O-Benzyl Posaconazole-d4. Offered by: Hubei YoungXin, TRC, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 10 mg, 1 mg.

Posaconazole Impurity 68-d4
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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O-Benzyl Posaconazole-d4
TRC, MedChemExpress
  • size: 10mg, 1mg, 10 mg, 1 mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one (CAS 1246818-95-0) is a chemical compound with the molecular formula C44H48F2N8O4 and a molecular weight of 794.9 g/mol. IUPAC name: 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one. InChIKey: XZBSQKGAKKWACB-RBPHCDHPSA-N.

Identity
Molecular formulaC44H48F2N8O4
Molecular weight794.9 g/mol
IUPAC name2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
InChIKeyXZBSQKGAKKWACB-RBPHCDHPSA-N
SMILES[2H]C1=C(C(=C(C(=C1N2CCN(CC2)C3=CC=C(C=C3)OC[C@H]4C[C@](OC4)(CN5C=NC=N5)C6=C(C=C(C=C6)F)F)[2H])[2H])N7C=NN(C7=O)[C@@H](CC)[C@H](C)OCC8=CC=CC=C8)[2H]

Computed by PubChem (NCBI)

Synonyms: O-Benzyl Posaconazole-d4, O-BenzylPosaconazole-d4
Related forms of this compound
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one C44H48F2N8O4
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2R,3R)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one C44H48F2N8O4
4-[4-[4-[4-[[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one C44H48F2N8O4