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Fexofenadine Impurity 7

CAT: 1596-AR-F01411-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01411-01Size:10 Units
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CAS Number
832088-68-3
Synonyms
2- (4- (4- (4- (hydroxydiphenylmethyl) piperidin-1-yl) but-1-yn-1-yl) phenyl) -2-methylpropanoic acid
Molecular Formula
C32H35NO3
Molecular Weight
481.64
API Name
Fexofenadine

Chemical Information

4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid
CAS Number832088-68-3
PubChem CID11982796
IUPAC Name2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]but-1-ynyl]phenyl]-2-methylpropanoic acid
Molecular FormulaC32H35NO3
Molecular Weight481.6
XLogP3.8
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity746
SMILES
CC(C)(C1=CC=C(C=C1)C#CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)O
InChI
InChI=1S/C32H35NO3/c1-31(2,30(34)35)26-18-16-25(17-19-26)11-9-10-22-33-23-20-29(21-24-33)32(36,27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,12-19,29,36H,10,20-24H2,1-2H3,(H,34,35)
InChIKey
LNQJRLLXDQRHIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid
CAS: 832088-68-3
CID: 11982796
Formula: C32H35NO3
MW: 481.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass481.26169398
Monoisotopic Mass481.26169398
Topological Polar Surface Area60.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity746
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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