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Fexofenadine-d6

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For Research Use Only | Not For Clinical Use
CATAPS548783717
CAS548783-71-7
Structure
SynonymsFexofenadine (dimethyl D6), Fexofenadine-d6,Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-di(methyl-d3)- (9CI)
IUPAC Name3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
Molecular Weight507.69
Molecular FormulaC322H6H33NO4
Canonical SMILES[2H]C([2H])([2H])C(C(=O)O)(c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4)C([2H])([2H])[2H]
InChIInChI=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
Accurate Mass507.3256
FormatNeat
TypeImpurity; Stable Isotope Labelled
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