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Fexofenadine Impurity 9

CAT: 1596-AR-F01413-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01413-01Size:50 Units
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CAS Number
174483-06-8
Synonyms
Ethyl 2- (4- (1-hydroxy-4- (4- (hydroxydiphenylmethyl) piperidin-1-yl) butyl) phenyl) -2-methylpropanoate
Molecular Formula
C34H43NO4
Molecular Weight
529.72
API Name
Fexofenadine

Chemical Information

Ethyl Fexofenadine

structure in first source

CAS Number174483-06-8
PubChem CID9849889
IUPAC Nameethyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
Molecular FormulaC34H43NO4
Molecular Weight529.7
XLogP6
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity707
SMILES
CCOC(=O)C(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C34H43NO4/c1-4-39-32(37)33(2,3)27-19-17-26(18-20-27)31(36)16-11-23-35-24-21-30(22-25-35)34(38,28-12-7-5-8-13-28)29-14-9-6-10-15-29/h5-10,12-15,17-20,30-31,36,38H,4,11,16,21-25H2,1-3H3
InChIKey
BKGNRWXKVMPQJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Fexofenadine
CAS: 174483-06-8
CID: 9849889
Formula: C34H43NO4
MW: 529.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.7
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass529.31920885
Monoisotopic Mass529.31920885
Topological Polar Surface Area70 Ų
Heavy Atom Count39
Formal Charge0
Complexity707
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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