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 |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00690 | pyrrolidine |
|
N1CCCC1 | 0.0072 |
| FDBF00847 | 1-ethylpyrrolidine |
|
CCN1CCCC1 | 0.0027 |
| FDBF01092 | (3R)-3-methylpyrrolidine |
|
CC1CNCC1 | 0.0003 |
| FDBF01093 | (3R)-1,3-dimethylpyrrolidine |
|
CN1CC(CC1)C | 0.0010 |
| FDBF01100 | 2-[(3S)-1-methylpyrrolidin-3-yl]acetamide |
|
CN1CC(CC1)CC(=O)N | 0.0003 |
| FDBF01105 | 2,3-dihydrobenzofuran |
|
O1c2c(cccc2)CC1 | 0.0007 |
