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Chemical structure of Fexofenadine D6 (MDL-16455 D6)

GC33499

Fexofenadine D6 (MDL-16455 D6)

Also known as 3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid

Fexofenadine D6 (MDL-16455 D6) is deuterium labeled is Fexofenadine, which is an antihistamine pharmaceutical agent

ChemicalCAS548783-71-7MW507.69FormulaC32H33D6NO4
CAS number
548783-71-7
Molecular weight
507.69
Formula
C32H33D6NO4
Solubility
DMSO : 50 mg/mL (98·49 mM; Need ultrasonic)
InChIKey
RWTNPBWLLIMQHL-WFGJKAKNSA-N
Catalogue number
GC33499
Brand
GLPBIO
Computed properties PubChem CID 45039254 · XLogP 3 · TPSA 81 Ų · H-bond donors 3
XLogP
3
TPSA
81 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
37

SMILES [2H]C([2H])([2H])C(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)(C(=O)O)C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 45039254), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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