Posaconazole hydrate

Base Information

• Chemical Name: Posaconazole hydrate
• CAS No.: 1198769-38-8
• Molecular Formula: C37H44F2N8O5
• Molecular Weight: 718.8
• ChEMBL ID: CHEMBL4303216
• Mol file: 1198769-38-8.mol

Synonyms:4-(p-(4-(p-(((3R,5R)-5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)-1-((1S,2S)-1-ethyl-2-hydroxypropyl)-delta(sup 2)-1,2,4-triazolin-5-one;Noxafil;posaconazole;posaconazole hydrate;SCH 56592;SCH-56592

Chemical Property of Posaconazole hydrate

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 718.34027286
• Heavy Atom Count: 52
• Complexity: 1170

Purity/Quality:

>98% ^*data from raw suppliers

Posaconazolehydrate >98% ^*data from reagent 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.O
• 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.O