Neflumozide

Base Information

• Chemical Name: Neflumozide
• CAS No.: 86636-93-3
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.448
• UNII: P3WHG5IM2W
• DSSTox Substance ID: DTXSID801006980
• Nikkaji Number: J481.454A
• Wikipedia: Neflumozide
• Wikidata: Q27286089
• NCI Thesaurus Code: C83992
• ChEMBL ID: CHEMBL2111040
• Mol file: 86636-93-3.mol

Synonyms:NEFLUMOZIDE;Neflumozide [INN];UNII-P3WHG5IM2W;P3WHG5IM2W;86636-93-3;P-793913;SCHEMBL121285;CHEMBL2111040;DTXSID801006980;Q27286089;1-(1-(3-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PROPYL)-4-PIPERIDYL)-2-BENZIMIDAZOLINONE;1-{1-[3-(6-Fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl}-1H-benzimidazol-2-ol;2H-BENZIMIDAZOL-2-ONE, 1-(1-(3-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PROPYL)-4-PIPERIDINYL)-1,3-DIHYDRO-

Chemical Property of Neflumozide

Chemical Property:

• PSA: 67.32000
• LogP: 4.22980
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 394.18050415
• Heavy Atom Count: 29
• Complexity: 585

Purity/Quality:

NEFLUMOZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F
• Uses: Antipsychotic.

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