Products 1902957-95-2

CAS 1902957-95-2 appears in our catalog under these names: Posaconazole Piperazine N,N-Dioxide, Posaconazole Impurity P. Offered by: Chemat Brand. Available pack sizes: on request.

Posaconazole Piperazine N,N-Dioxide
Chemat Brand
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  • Variants: 1
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Posaconazole Impurity P
Chemat Brand
  • size: on request
  • Variants: 1
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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]-1,4-dioxidopiperazine-1,4-diium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one (CAS 1902957-95-2) is a chemical compound with the molecular formula C37H42F2N8O6 and a molecular weight of 732.8 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]-1,4-dioxidopiperazine-1,4-diium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one. InChIKey: UYZCUQUAYDZPLB-BCNCYLFMSA-N.

Identity
Molecular formulaC37H42F2N8O6
Molecular weight732.8 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]-1,4-dioxidopiperazine-1,4-diium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
InChIKeyUYZCUQUAYDZPLB-BCNCYLFMSA-N
SMILESCC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)[N+]3(CC[N+](CC3)(C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F)[O-])[O-]

Computed by PubChem (NCBI)

Synonyms: Posaconazole Piperazine Dioxide, Posaconazole Impurity P, Posaconazole Impurity 50, PosaconazolePiperazineDioxide