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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00194 | 3-phenylpropan-1-amine |
|
C(c1ccccc1)CCN | 0.0052 |
| FDBF00243 | N-ethylpropan-2-amine |
|
C(C)(C)NCC | 0.0045 |
| FDBF00244 | N-propylpropan-2-amine |
|
C(C)(C)NCCC | 0.0024 |
| FDBF00588 | N-isopropylpropan-2-amine |
|
N(C(C)C)C(C)C | 0.0010 |
| FDBF02104 | 2,4-dimethylphenol |
|
c1c(c(cc(c1)C)C)O | 0.0007 |
