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

Base Information

• Chemical Name: 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
• CAS No.: 213381-04-5
• Molecular Formula: C37H42F2N8O4
• Molecular Weight: 700.8
• Mol file: 213381-04-5.mol

Synonyms:213381-04-5;(3S,5R)-Posaconazole

Chemical Property of 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

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 700.32970817
• Heavy Atom Count: 51
• Complexity: 1170

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
• Isomeric SMILES: CC[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
• Uses: (3S,5R)-Posaconazole is an impurity of (R)-Posaconazole (P689618), Orally active triazole antifungal. (3S,5R)-Posaconazole can be used to treat mycosis.