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(S)-Fexofenadine

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For Research Use Only | Not For Clinical Use
CATAPS139965110
CAS139965-11-0
Structure
SynonymsBenzeneacetic acid, 4-[(1S)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl-, (S)-Fexofenadine, 4-[(1S)-1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethylbenzeneacetic acid, Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl-, (S)-
IUPAC Name2-[4-[(1S)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
Molecular Weight501.66
Molecular FormulaC32H39NO4
Canonical SMILESCC(C)(C(=O)O)c1ccc(cc1)[C@@H](O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
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)/t29-/m0/s1
Accurate Mass501.2879
FormatNeat
ShippingRoom Temperature
Size1MG
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryChiral molecules
TypeMetabolite
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