Compound: Darifenacin
SMILES: O=C(N)C(c1ccccc1)(c2ccccc2)[C@H]3CN(CCc4cc5c(OCC5)cc4)CC3
InChIKey: HXGBXQDTNZMWGS-RUZDIDTESA-N
Synonyms: Darifenacin, 133099-04-4, 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide, UK-88525, darifenacine, Darifenacina, Darifenacin extended release, APG9819VLM, UK88525, (S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide, DTXSID2048290, CHEBI:391960, 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide, 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, (3S)-, darifenicin, Darifenacinum, 2-((3S)-1-(2-(2,3-dihydro-1-benzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide, 2-((3S)-1-(2-(2,3-dihydro-1-benzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-di(phenyl)acetamide, 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide, RefChem:57150, DTXCID3028265, G04BD10, 603-704-1, Emselex, CHEMBL1346, Darifenacin (hydrobromide), [3H]darifenacin, NCGC00168775-01, UK-88525 (hydrobromide), Darifenacin (USAN/INN), UNII-APG9819VLM, Darifenacin [USAN:INN:BAN], Darifenacin [USAN], DARIFENACIN [MI], DARIFENACIN [INN], DARIFENACIN [VANDF], DARIFENACIN [MART.], SCHEMBL56574, DARIFENACIN [WHO-DD], GTPL319, GTPL321, MLS003876823, orb1687722, SCHEMBL31257801, HXGBXQDTNZMWGS-RUZDIDTESA-N, GLXC-05233, HY-A0033, AC-302, BDBM50109647, EBC-27055, EX-A10864, AKOS015907962, CS-1168, DB00496, (S)-2-(1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide, NCGC00168775-07, 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine, SMR002533186, NS00007299, D03654, AB01566824_01, EN300-19768793, Q166476, BRD-K95773607-004-03-8, (s)-1-[2-(2,3-dihydro-5-benzofuranyl) ethyl]-alpha,alpha-diphenyl-3-pyrrolidine acetamide, (S)-2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide, (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, 2-((3S)-1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide, 2-((3S)-1-(2-(2,3-DIHYDROBENZOFURAN-5-YL)ETHYL)PYRROLIDIN-3-YL)-2,2-DIPHENYLACETAMIDE., 2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide (Darifenacin), 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-y l)ethyl]pyrrolidine, 3-PYRROLIDINEACETAMIDE, 1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-.ALPHA.,.ALPHA.-DIPHENYL-, (3S)-, Darifenacin; 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-a,a-diphenyl-, (3S)-; 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-a,a-diphenyl-, (S)-; (3S)-1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl]-a,a-diphenyl-3-pyrrolidineacetamide; (3
Theoretical properties:
molecular_formula: C28H30N2O2
molecular_weight: 426.5 g/mol
exact_mass: 426.230728204 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 7
heavy_atom_count: 32
topological_polar_surface_area: 55.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 2.98e-04 g/L
Descriptions:
pubchem: 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.
chebi: 2-[(3<i>S</i>)-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 M<small><sub>3</sub></small> muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.
chembl: DARIFENACIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Darifenacin (trade name Enablex in United States and Canada, Emselex in the European Union) is a medication used to treat urinary incontinence due to an overactive bladder. It was discovered by scientists at the Pfizer research site in Sandwich, UK under the identifier UK-88,525 and used to be marketed by Novartis. In 2010, the US rights were sold to Warner Chilcott for US$400 million.