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Flunarizine Impurity 14

CAT: 1299-RM-F121414-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F121414-01Size:10 mg
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CAS Number
144917-53-3
Synonyms
1- (bis (4-fluorophenyl) methyl) -4- ((3-phenyloxiran-2-yl) methyl) piperazine
Molecular Formula
C26H26F2N2O
Molecular Weight
420.5
Target Alternative Name
Flunarizine
Product Name Synonym
1- (bis (4-fluorophenyl) methyl) -4- ((3-phenyloxiran-2-yl) methyl) piperazine

Chemical Information

Flunarizine Epoxide
CAS Number144917-53-3
PubChem CID85665665
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[(3-phenyloxiran-2-yl)methyl]piperazine
Molecular FormulaC26H26F2N2O
Molecular Weight420.5
XLogP4.7
Topological Polar Surface Area19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity526
SMILES
C1CN(CCN1CC2C(O2)C3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H26F2N2O/c27-22-10-6-19(7-11-22)25(20-8-12-23(28)13-9-20)30-16-14-29(15-17-30)18-24-26(31-24)21-4-2-1-3-5-21/h1-13,24-26H,14-18H2
InChIKey
AORPOLCUNDQBRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flunarizine Epoxide
CAS: 144917-53-3
CID: 85665665
Formula: C26H26F2N2O
MW: 420.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight420.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass420.20131978
Monoisotopic Mass420.20131978
Topological Polar Surface Area19 Ų
Heavy Atom Count31
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes