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Flunarizine Epoxide

CAT: 0572-TRC-F266020-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F266020-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144917-53-3
Hazard Statement
No Data Available
Smiles
Fc1ccc(cc1)C(N2CCN(CC3OC3c4ccccc4)CC2)c5ccc(F)cc5
Molecular Formula
C26 H26 F2 N2 O
Molecular Weight
420.494
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
Additionnal Information
IUPAC name: 1-[bis(4-fluorophenyl)methyl]-4-[(3-phenyloxiran-2-yl)methyl]piperazine
Shipping Conditions
Room Temperature

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
Loading 3D structure...
View on PubChemRaw 3D data
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

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