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Chemical structure of 4-hydroxy Solifenacin N-oxide

GC40879

4-hydroxy Solifenacin N-oxide

Also known as [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] 4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

4-hydroxy Solifenacin N-oxide is an N-oxide form of 4-hydroxy solifenacin, the major metabolite of solifenacin

ChemicalCAS2747991-39-3MW394.5FormulaC23H26N2O4
CAS number
2747991-39-3
Molecular weight
394.5
Formula
C23H26N2O4
Solubility
Methanol: soluble
InChIKey
HKJBKWXZULCCEK-SPUMBLFESA-N
Catalogue number
GC40879
Brand
GLPBIO
Computed properties PubChem CID 137700552 · XLogP 2.3 · TPSA 67.8 Ų · H-bond donors 1
XLogP
2.3
TPSA
67.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

SMILES C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CC(C4=CC=CC=C4C3C5=CC=CC=C5)O)[O-]

Computed descriptors from PubChem (CID 137700552), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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