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Flunarizine Impurity 18

CAT: 1299-RM-F121418-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F121418-01Size:10 mg
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CAS Number
768360-45-8
Synonyms
1- (bis (4-fluorophenyl) methyl) -4- (1-phenylethyl) piperazine
Molecular Formula
C25H26F2N2
Molecular Weight
392.49
Target Alternative Name
Flunarizine
Product Name Synonym
1- (bis (4-fluorophenyl) methyl) -4- (1-phenylethyl) piperazine

Chemical Information

Flunarizine Impurity 18
CAS Number768360-45-8
PubChem CID175674017
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine
Molecular FormulaC25H26F2N2
Molecular Weight392.5
XLogP5.4
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity449
SMILES
CC(C1=CC=CC=C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H26F2N2/c1-19(20-5-3-2-4-6-20)28-15-17-29(18-16-28)25(21-7-11-23(26)12-8-21)22-9-13-24(27)14-10-22/h2-14,19,25H,15-18H2,1H3
InChIKey
HKOIHEYHMZKAHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flunarizine Impurity 18
CAS: 768360-45-8
CID: 175674017
Formula: C25H26F2N2
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass392.20640516
Monoisotopic Mass392.20640516
Topological Polar Surface Area6.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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