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1-Dehydroxy-1-dehyro-fexofenadine Methyl Ester-[d6]

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1-Dehydroxy-1-dehyro-fexofenadine Methyl Ester-[d6]

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General Information
Catalog: BLP-001836
CAS: 1795031-46-7
Molecular Formula: C33H31D6NO3
Molecular Weight: 501.69

Chemical Structure

Description	1-Dehydroxy-1-dehyro-fexofenadine Methyl Ester-[d6], is the labelled analogue of 1-Dehydroxy-1-dehyro-fexofenadine Methyl Ester, which is an intermediate of Fexofenadine. Fexofenadine, sold under the brand name Allegra among others, is an antihistamine pharmaceutical drug used in the treatment of allergy symptoms, such as hay fever and urticaria. Therapeutically, fexofenadine is a selective peripheral H1-blocker.
Synonyms	1-Dehydroxy-1-dehyro-fexofenadine-d6 Methyl Ester
IUPAC Name	methyl 3,3,3-trideuterio-2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]but-1-ynyl]phenyl]-2-(trideuteriomethyl)propanoate
Related CAS	154825-95-3 (unlabelled)
Canonical SMILES	CC(C)(C1=CC=C(C=C1)C#CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC
InChI	InChI=1S/C33H37NO3/c1-32(2,31(35)37-3)27-19-17-26(18-20-27)12-10-11-23-34-24-21-30(22-25-34)33(36,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-9,13-20,30,36H,11,21-25H2,1-3H3/i1D3,2D3
InChI Key	DKWKEPIGDFDPRT-WFGJKAKNSA-N
Purity	> 98%
Appearance	Yellow Oil

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