IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C
Compound class
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; 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 urinary frequency, urgency, or urge incontinence).
Common name
Fesoterodine
IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C
INCHI
InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
FORMULA
C26H37NO3
Common name
Fesoterodine
IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate
Molecular weight
411.577
clogP
5.784
clogS
-5.797
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
49.77
Number of Rings
2
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00595 | N-ethyl-N-isopropyl-propan-2-amine |
|
N(CC)(C(C)C)C(C)C | 0.0010 |
| FDBF03547 | o-tolyl formate |
|
Cc1c(cccc1)OC=O | 0.0003 |
| FDBF03548 | [4-(hydroxymethyl)phenyl] formate |
|
C(O)c1ccc(cc1)OC=O | 0.0003 |
| FDBF03550 | (2-ethylphenyl) formate |
|
C(C)c1c(cccc1)OC=O | 0.0003 |
| FDBF03553 | phenyl formate |
|
O(C=O)c1ccccc1 | 0.0007 |
