Posaconazole Impurity 48

cas: 1229428-90-3 — see every product listed under this CAS number, including other names

Posaconazole Impurity 48 (CAS 1229428-90-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-P0007.57
cas1229428-90-3
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Structural formula: {0} (CAS {1})

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-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one (CAS 1229428-90-3) 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,5S)-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-KTRXSZHWSA-N.

Identity
Molecular formulaC37H42F2N8O4
Molecular weight700.8 g/mol
IUPAC name4-[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-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
InChIKeyRAGOYPUPXAKGKH-KTRXSZHWSA-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: (3R,5S)Posaconazole, Posaconazole Impurity J, Posaconazole Impurity W, Posaconazole Impurity 22(R,S,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 J Chemat Brand CAS 1229428-90-3
Posaconazole Diastereoisomer 5 (S,R,R,S) Chemat Brand CAS 1229428-90-3
Posaconazole Impurity 27 Hubei YoungXin CAS 1229428-90-3
(3R,5S)Posaconazole TRC CAS 1229428-90-3