POSACONAZOLE RELATED COMPOUND A

cas: 171228-50-5 — see every product listed under this CAS number, including other names

POSACONAZOLE RELATED COMPOUND A (CAS 171228-50-5) is a chemical reagent available from Chemat. Available pack sizes: 15MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number1548189-15MG
cas171228-50-5
size15MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

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Sigma-Aldrich 15MG 5861.00 Pln

properties

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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,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one (CAS 171228-50-5) is a chemical compound with the molecular formula C37H42F2N8O4 and a molecular weight of 700.8 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]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one. InChIKey: RAGOYPUPXAKGKH-SUUNXRQISA-N.

Identity
Molecular formulaC37H42F2N8O4
Molecular weight700.8 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]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
InChIKeyRAGOYPUPXAKGKH-SUUNXRQISA-N
SMILESCC[C@H]([C@H](C)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: (R)-Posaconazole, Posaconazole Impurity G, Posaconazole Impurity V, Posaconazole Impurity 21(R,R,S,R)
Related forms of this compound
4-[4-[4-[4-[[(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2R,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
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-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
4-[4-[4-[4-[[(3S,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
4-[4-[4-[4-[[(3S,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2R,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(2-hydroxypentan-3-yl)-1,2,4-triazol-3-one C37H42F2N8O4
4-[4-[4-[4-[[(3S,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2R,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
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,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4
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-hydroxypentan-3-yl]-1,2,4-triazol-3-one C37H42F2N8O4

Also listed as

Posaconazole Impurity G Chemat Brand CAS 171228-50-5
Posaconazole Diastereoisomer 6 (R,R,R,S) Chemat Brand CAS 171228-50-5
Posaconazole Impurity 25 Hubei YoungXin CAS 171228-50-5
(R)-Posaconazole TRC CAS 171228-50-5
4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3R)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one (Standard) MedChemExpress CAS 171228-50-5