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Terfenadine-(butanol-1,2,2-[d3])

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General Information
Catalog: BLP-001281
Molecular Formula: C32H38D3NO2
Molecular Weight: 474.69

Chemical Structure

Description	Terfenadine-(butanol-1,2,2-[d3]) is a labelled version of Terfenadine. Terfenadine is a potent open-channel blocker of hERG (IC50=204 nM), formerly used for the treatment of allergic conditions.
IUPAC Name	1-(4-tert-butylphenyl)-1,2,2-trideuterio-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
Related CAS	50679-08-8 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI	InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/i15D2,30D
InChI Key	GUGOEEXESWIERI-AKOBIBDASA-N
Purity	97% by CP; 98% atom D