Posaconazole Impurity 244

cas: 2243785-85-3 — see every product listed under this CAS number, including other names

Posaconazole Impurity 244 (CAS 2243785-85-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-P190544
cas2243785-85-3
sizeon request
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Structural formula: {0} (CAS {1})

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 (CAS 2243785-85-3) is a chemical compound with the molecular formula C44H48F2N8O4 and a molecular weight of 790.9 g/mol. IUPAC name: 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. InChIKey: XZBSQKGAKKWACB-OFEBTLLBSA-N.

Identity
Molecular formulaC44H48F2N8O4
Molecular weight790.9 g/mol
IUPAC name4-[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
InChIKeyXZBSQKGAKKWACB-OFEBTLLBSA-N
SMILESCC[C@H]([C@@H](C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC[C@H]6C[C@](OC6)(CN7C=NC=N7)C8=C(C=C(C=C8)F)F

Computed by PubChem (NCBI)

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-[[(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
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 C44H48F2N8O4