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Chemical structure of Darifenacin

GC35810

Darifenacin

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

Darifenacin(UK88525) is a selective M3 muscarinic receptor antagonist with pKi of 8·9

ChemicalCAS133099-04-4MW426.55FormulaC28H30N2O2
CAS number
133099-04-4
Molecular weight
426.55
Formula
C28H30N2O2
Solubility
DMSO ： 100 mg/mL (234·44 mM; ultrasonic and warming and heat to 80°C)
InChIKey
HXGBXQDTNZMWGS-RUZDIDTESA-N
Catalogue number
GC35810
Brand
GLPBIO
Computed properties PubChem CID 444031 · XLogP 4.6 · TPSA 55.6 Ų · H-bond donors 1
XLogP
4.6
TPSA
55.6 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32

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

Computed descriptors from PubChem (CID 444031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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