darifenacin   

GtoPdb Ligand ID: 321

Synonyms: Emselex® | Enablex® | UK-88525
darifenacin is an approved drug (EMA & FDA (2004))
Compound class: Synthetic organic
Comment: Darifenacin is a muscarinic acetylcholine M3 receptor antagonist.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.56
Molecular weight 426.23
XLogP 4.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1ccc2c(c1)CCO2
Isomeric SMILES NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2
InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
InChI Key HXGBXQDTNZMWGS-RUZDIDTESA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2004))
IUPAC Name
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide
International Nonproprietary Names
INN number INN
7153 darifenacin
Synonyms
Emselex® | Enablex® | UK-88525
Database Links
CAS Registry No. 133099-04-4
ChEBI CHEBI:391960
ChEMBL Ligand CHEMBL1346
DrugBank Ligand DB00496
DrugCentral Ligand 784
GtoPdb PubChem SID 135650160
PubChem CID 444031
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