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Pimozide

CAT: 1299-RM-P131600-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P131600-03Size:50 mg
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CAS Number
2062-78-4
Synonyms
1- (1- (4,4-bis (4-fluorophenyl) butyl) piperidin-4-yl) -1H-benzo[d]imidazol-2 (3H) -one
Molecular Formula
C28H29F2N3O
Molecular Weight
461.55
Target Alternative Name
Pimozide
Product Name Synonym
1- (1- (4,4-bis (4-fluorophenyl) butyl) piperidin-4-yl) -1H-benzo[d]imidazol-2 (3H) -one

Chemical Information

Pimozide

Pimozide can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number2062-78-4
PubChem CID16362
IUPAC Name3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC28H29F2N3O
Molecular Weight461.5
XLogP6.3
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity632
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChIKey
YVUQSNJEYSNKRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimozide
CAS: 2062-78-4
CID: 16362
Formula: C28H29F2N3O
MW: 461.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass461.22786888
Monoisotopic Mass461.22786888
Topological Polar Surface Area35.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity632
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
HY-12987-01Pimozide
AR-P31675-01Pimozide Impurity 2 (N-Nitroso-Pimozide)
DXC19357-01Pimozide-d4

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