Darifenacin
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
Molecular Identity
Darifenacin
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID: 444031
Darifenacin is 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a monocarboxylic acid amide, a member of pyrrolidines and a member of 1-benzofurans.
2D Structure
Properties
C28H30N2O2
Molecular Formula
426.50
Molecular Weight
g/mol
426.2307
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
55.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
607
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Darifenacin133099-04-42-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamideUK-88525darifenacineDarifenacinaDarifenacin extended releaseAPG9819VLMUK88525(S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamideDTXSID2048290CHEBI:3919602-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, (3S)-darifenicin
Data from PubChem (NCBI)
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