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Fexofenadine-d6

CAT: 1459-CS-O-02714Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-02714Size:1 Each
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Description
Fexofenadine-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Fexofenadine. The product is supplied by Clearsynth under CAT No. CS-O-02714. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"The active labelled metabolite of Terfenadine , a H1-histamine receptor antagonist.; Labeled Fexofenadine, intended for use as an internal standard for the quantification of Fexofenadine by GC- or LC-mass spectrometry."
CAS Number
548783-71-7
Synonyms
Fexofenadine-d6
Molecular Formula
C 32 H 33 D 6 NO 4
Molecular Weight
507.69
Additionnal Information
Fexofenadine-d6 is supplied with detailed characterization data compliant with regulatory guideline. Fexofenadine-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Fexofenadine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"The active labelled metabolite of Terfenadine , a H1-histamine receptor antagonist.; Labeled Fexofenadine, intended for use as an internal standard for the quantification of Fexofenadine by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

3,3,3-Trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
CAS Number548783-71-7
PubChem CID45039254
IUPAC Name3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
Molecular FormulaC32H39NO4
Molecular Weight507.7
XLogP3
Topological Polar Surface Area81
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity678
SMILES
[2H]C([2H])([2H])C(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)(C(=O)O)C([2H])([2H])[2H]
InChI
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)/i1D3,2D3
InChIKey
RWTNPBWLLIMQHL-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 3,3,3-Trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
CAS: 548783-71-7
CID: 45039254
Formula: C32H39NO4
MW: 507.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.7
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass507.32556920
Monoisotopic Mass507.32556920
Topological Polar Surface Area81 Ų
Heavy Atom Count37
Formal Charge0
Complexity678
Isotope Atom Count6
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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