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Chemical structure of Solifenacin N-oxide

GC44913

Solifenacin N-oxide

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

Solifenacin N-oxide is an inactive metabolite of the muscarinic receptor antagonist solifenacin

ChemicalCAS180272-28-0MW378.5FormulaC23H26N2O3
CAS number
180272-28-0
Molecular weight
378.5
Formula
C23H26N2O3
Solubility
DMF： 10 mg/ml,DMSO： 2 mg/ml,Ethanol： 15 mg/ml
InChIKey
PNHAPLMCCXMFAI-QYYKVDRLSA-N
Catalogue number
GC44913
Brand
GLPBIO
Computed properties PubChem CID 29987059 · XLogP 3.4 · TPSA 47.6 Ų · H-bond donors 0
XLogP
3.4
TPSA
47.6 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28

SMILES C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5)[O-]

Computed descriptors from PubChem (CID 29987059), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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