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Cinnarizine Impurity 7

CAT: 1299-RM-C141807-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C141807-01Size:10 mg
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CAS Number
1199751-98-8
Synonyms
1-benzhydryl-4- ((1E,5E) -1,6-diphenylhexa-1,5-dien-3-yl) piperazine
Molecular Formula
C35H36N2
Molecular Weight
484.69
Target Alternative Name
Cinnarizine
Product Name Synonym
1-benzhydryl-4- ((1E,5E) -1,6-diphenylhexa-1,5-dien-3-yl) piperazine

Chemical Information

1-benzhydryl-4-((1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl)piperazine
CAS Number1199751-98-8
PubChem CID46784067
IUPAC Name1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
Molecular FormulaC35H36N2
Molecular Weight484.7
XLogP8
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity647
SMILES
C1CN(CCN1C(C/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H36N2/c1-5-14-30(15-6-1)18-13-23-34(25-24-31-16-7-2-8-17-31)36-26-28-37(29-27-36)35(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-22,24-25,34-35H,23,26-29H2/b18-13+,25-24+
InChIKey
FFKBIJDNNHKVGD-KNWAISMVSA-N
Chemical Structure
2D Structure
2D structure of 1-benzhydryl-4-((1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl)piperazine
CAS: 1199751-98-8
CID: 46784067
Formula: C35H36N2
MW: 484.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.7
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass484.287849157
Monoisotopic Mass484.287849157
Topological Polar Surface Area6.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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