IUPAC name
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILES
NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Muscarinic Antagonists; Antispasmodic Agents; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency and frequency.
Common name
Darifenacin
IUPAC name
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILES
NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1
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
FORMULA
C28H30N2O2
Common name
Darifenacin
IUPAC name
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
Molecular weight
426.550
clogP
5.228
clogS
-6.315
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
55.56
Number of Rings
5
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF01096 | (3R)-3-benzyl-1-methyl-pyrrolidine |
|
c1(ccccc1)CC2CN(CC2)C | 0.0003 |
| FDBF01099 | 2,2-diphenylacetamide |
|
c1(ccccc1)C(c2ccccc2)C(=O)N | 0.0010 |
| FDBF01101 | (3R)-1-ethyl-3-methyl-pyrrolidine |
|
C(C)N1CC(CC1)C | 0.0003 |
| FDBF01102 | (2S)-2-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-acetamide |
|
c1(ccccc1)C(C(=O)N)C2CN(CC2)C | 0.0003 |
| FDBF01103 | (2R)-2-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-acetamide |
|
CN1CC(CC1)C(c2ccccc2)C(=O)N | 0.0003 |
| FDBF01104 | 2-[(3S)-1-ethylpyrrolidin-3-yl]acetamide |
|
C(C)N1CC(CC1)CC(=O)N | 0.0003 |
