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Chemical structure of Darifenacin HBr

GC15772

Darifenacin HBr

Also known as 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide

Darifenacin HBr (UK-88525 hydrobromide) is a selective M3 muscarinic receptor antagonist with pKi of 8·9

ChemicalCAS133099-07-7MW507.48FormulaC28H31BrN2O2
CAS number
133099-07-7
Molecular weight
507.48
Formula
C28H31BrN2O2
Solubility
≥ 20·2mg/mL in DMSO
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N
Catalogue number
GC15772
Brand
GLPBIO
Computed properties PubChem CID 444030 · TPSA 55.6 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
55.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
33

SMILES C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br

Computed descriptors from PubChem (CID 444030), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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