CAS 357189-94-7 appears in our catalog under these names: Posaconazole Impurity 39, Posaconazole Impurity 38, Posaconazole Impurity 42, 3-Oxo-posaconazole (3-oxo-1-piperazinyl). Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.
4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-1-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-2-one (CAS 357189-94-7) is a chemical compound with the molecular formula C37H40F2N8O5 and a molecular weight of 714.8 g/mol. IUPAC name: 4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-1-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-2-one. InChIKey: ZZDLBPMUUVZXAY-UZGSICAYSA-N.
| Molecular formula | C37H40F2N8O5 |
|---|---|
| Molecular weight | 714.8 g/mol |
| IUPAC name | 4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-1-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-2-one |
| InChIKey | ZZDLBPMUUVZXAY-UZGSICAYSA-N |
| SMILES | CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3=O)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)