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Fexofenadine-[d6]

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General Information
Catalog: BLP-011579
CAS: 548783-71-7
Molecular Formula: C32H33D6NO4
Molecular Weight: 507.69

Chemical Structure

Description	Fexofenadine-[d6] is the labelled analogue of Fexofenadine. Fexofenadine is a histamine H1 receptor antagonist. It can be used for the treatment of allergy symptoms, such as hay fever, nasal congestion, and urticaria.
Synonyms	Fexofenadine D6; 4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-(dimethyl-d6)benzeneacetic Acid; 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-(dimethyl-d6)phenylacetic Acid; Carboxyterfenadine-d6; Terfenadine-d6 Acid Metabolite; Terfenadine-d6 Carboxylate
IUPAC Name	3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
Related CAS	83799-24-0 (unlabelled)
Isomeric 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]
Canonical SMILES	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
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
InChI Key	RWTNPBWLLIMQHL-WFGJKAKNSA-N
Melting Point	>213 °C
Purity	98%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Application	Isotope labelled Fexofenadine
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage	Store at -20°C under inert atmosphere