Products 2069239-68-3

CAS 2069239-68-3 is the registry number for Posaconazole Impurity 106. Offered by: Chemat Brand. Available pack sizes: on request.

Posaconazole Impurity 106
Chemat Brand
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  • Variants: 1
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[(2S,3S)-3-[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]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] formate (CAS 2069239-68-3) is a chemical compound with the molecular formula C38H42F2N8O5 and a molecular weight of 728.8 g/mol. IUPAC name: [(2S,3S)-3-[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]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] formate. InChIKey: ZYFVMSRYYCTQCX-XQPVTFFNSA-N.

Identity
Molecular formulaC38H42F2N8O5
Molecular weight728.8 g/mol
IUPAC name[(2S,3S)-3-[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]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] formate
InChIKeyZYFVMSRYYCTQCX-XQPVTFFNSA-N
SMILESCC[C@@H]([C@H](C)OC=O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Computed by PubChem (NCBI)

Synonyms: Posaconazole formate