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Fexofenadine Methyl Ester-[d6]

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General Information
Catalog: BLP-005465
CAS: 1286458-00-1
Molecular Formula: C33H35D6NO4
Molecular Weight: 521.72

Chemical Structure

Description	Fexofenadine Methyl Ester-[d6] is the labelled analogue of Fexofenadine Methyl Ester, which is an intermediate of Fexofenadine. Fexofenadine is Histamine H1 receptor antagonist. It can be used for the treatment of allergy symptoms, such as hay fever, nasal congestion, and urticaria.
Synonyms	4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-(dimethyl-d6)benzeneacetic Acid Methyl Ester; Fexofenadine-D6 Methyl Ester
IUPAC Name	methyl 3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoate
Related CAS	154825-96-4 (unlabelled)
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)OC
InChI	InChI=1S/C33H41NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,35,37H,10,15,20-24H2,1-3H3/i1D3,2D3
InChI Key	GOUQSHOAAGQXNJ-WFGJKAKNSA-N
Boiling Point	659.3±55.0°C at 760 mmHg
Purity	96% by CP; 99% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C