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Fexofenadine breakdown (439)
SpectraBase Compound ID InMERnq2kkZ
InChI InChI=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)
InChIKey RWTNPBWLLIMQHL-UHFFFAOYSA-N
Mol Weight 501.7 g/mol
Molecular Formula C32H39NO4
Exact Mass 501.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdrSdNocy4H
Name 2-Methyl-2-[4-[1-oxidanyl-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]propanoic acid
CAS Registry Number 83799-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO4
InChI InChI=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)
InChIKey RWTNPBWLLIMQHL-UHFFFAOYSA-N
Molecular Weight 501.667 g/mol
SMILES OC(C1CCN(CCCC(c2ccc(cc2)C(C(O)=O)(C)C)O)CC1)(c1ccccc1)c1ccccc1
SPLASH splash10-001i-6590000000-101c9f5b753c4188e0f5
Synonyms 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidino]butyl]phenyl]-2-methyl-propionic acid
Wiley ID 1509928