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Neflumozide

CAT: 0013-GTR19239740-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239740-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Neflumozide (HRP 913) is a benzisoxazole-derived, orally active dopamine antagonist used in psychiatric research. It is applied in studies of antipsychotic mechanisms, utilizing both in vitro receptor binding assays and in vivo behavioral models relevant to schizophrenia.
CAS Number
86636-93-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1NC=2C=CC=CC2N1C3CCN (CCCC4=NOC=5C=C (F) C=CC54) CC3
Molecular Formula
C22H23FN4O2
Molecular Weight
394.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neflumozide

Neflumozide is a small molecule drug. Neflumozide has a monoisotopic molecular weight of 394.18 Da.

CAS Number86636-93-3
PubChem CID55463
IUPAC Name3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC22H23FN4O2
Molecular Weight394.4
XLogP3.6
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity585
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F
InChI
InChI=1S/C22H23FN4O2/c23-15-7-8-17-18(25-29-21(17)14-15)5-3-11-26-12-9-16(10-13-26)27-20-6-2-1-4-19(20)24-22(27)28/h1-2,4,6-8,14,16H,3,5,9-13H2,(H,24,28)
InChIKey
VEUGOXRZHKYDED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Neflumozide
CAS: 86636-93-3
CID: 55463
Formula: C22H23FN4O2
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass394.18050415
Monoisotopic Mass394.18050415
Topological Polar Surface Area61.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T201050-01Neflumozide
LDA01538-01Neflumozide hydrochloride

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