O-Benzyl Posaconazole

cas: 170985-86-1 — see every product listed under this CAS number, including other names

O-Benzyl Posaconazole (CAS 170985-86-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-B288660-1MG
cas170985-86-1
size1mg
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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-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one (CAS 170985-86-1) 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-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one. InChIKey: XZBSQKGAKKWACB-QCKBNUSDSA-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-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
InChIKeyXZBSQKGAKKWACB-QCKBNUSDSA-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)

Synonyms: O-Benzyl Posaconazole, Posaconazole Impurity 70, orb3143643, XZBSQKGAKKWACB-QCKBNUSDSA-N
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-[(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
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

Also listed as

Benzylposaconazole Chemat Brand CAS 170985-86-1
Posaconazole Impurity 70 Chemat Brand CAS 170985-86-1
O-Benzyl posaconazole, 99.79% MedChemExpress CAS 170985-86-1