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Pimozide Impurity 3

CAT: 1596-AR-P31673-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31673-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
612848-74-5
Molecular Formula
C27H25N3O3
Molecular Weight
439.52
API Name
Pimozide

Chemical Information

1-(4-{[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-YL)piperidin-1-YL]methyl}phenyl)-2-phenylethane-1,2-dione
CAS Number612848-74-5
PubChem CID21103194
IUPAC Name1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione
Molecular FormulaC27H25N3O3
Molecular Weight439.5
XLogP4.5
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity718
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C(=O)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H25N3O3/c31-25(20-6-2-1-3-7-20)26(32)21-12-10-19(11-13-21)18-29-16-14-22(15-17-29)30-24-9-5-4-8-23(24)28-27(30)33/h1-13,22H,14-18H2,(H,28,33)
InChIKey
TUKMJZRJDWDVNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-{[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-YL)piperidin-1-YL]methyl}phenyl)-2-phenylethane-1,2-dione
CAS: 612848-74-5
CID: 21103194
Formula: C27H25N3O3
MW: 439.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass439.18959167
Monoisotopic Mass439.18959167
Topological Polar Surface Area69.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity718
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

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Alternative Products

CatalogName
CS-P-08853Pimozide Impurity 2 (N-Nitroso-Pimozide)
RM-P131607-01Pimozide Impurity 7
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RM-P131605-01Pimozide EP Impurity E
RM-P131603-01Pimozide EP Impurity C
RM-P131604-01Pimozide EP Impurity D
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CS-O-53119N-Nitroso Pimozide EP Impurity A
HY-12987-01Pimozide

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