CAS 1902954-03-3 appears in our catalog under these names: 4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-1-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)piperazine 1-oxide, 95%, Posaconazole Impurity 41, Posaconazole Piperazine N4-Oxide, Posaconazole Impurity 222. Offered by: Chemat Brand. Available pack sizes: on request.
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-1-oxidopiperazin-1-ium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one (CAS 1902954-03-3) is a chemical compound with the molecular formula C37H42F2N8O5 and a molecular weight of 716.8 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-oxidopiperazin-1-ium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one. InChIKey: SNXXQXROQUSEKM-XAKZXMRKSA-N.
| Molecular formula | C37H42F2N8O5 |
|---|---|
| Molecular weight | 716.8 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-oxidopiperazin-1-ium-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one |
| InChIKey | SNXXQXROQUSEKM-XAKZXMRKSA-N |
| SMILES | CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)[N+]3(CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F)[O-] |
Computed by PubChem (NCBI)