IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=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; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; 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
Tolterodine
IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C
INCHI
InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
FORMULA
C22H31NO
Common name
Tolterodine
IUPAC name
2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
Molecular weight
325.488
clogP
5.203
clogS
-5.332
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
23.47
Number of Rings
2
Rotatable Bond
7
| 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 |
| FDBF00212 | N-methylpropan-2-amine |
|
CNC(C)C | 0.0158 |
| FDBF00589 | N-isopropyl-N-methyl-propan-2-amine |
|
N(C)(C(C)C)C(C)C | 0.0017 |
| FDBF00595 | N-ethyl-N-isopropyl-propan-2-amine |
|
N(CC)(C(C)C)C(C)C | 0.0010 |
| FDBF02314 | 2-ethyl-4-methyl-phenol |
|
c1(cc(ccc1O)C)CC | 0.0003 |
| FDBF02315 | 4-methyl-2-propyl-phenol |
|
c1(cc(ccc1O)C)CCC | 0.0003 |
