IUPAC name
3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8λ
SMILES
OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Muscarinic Antagonists; Parasympatholytics; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency, detrusor instability and frequency of micturition.
Common name
Trospium
IUPAC name
3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8λ
SMILES
OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1
FORMULA
C25H30NO3
Common name
Trospium
IUPAC name
3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8λ
Molecular weight
392.511
clogP
0.944
clogS
-4.903
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
5
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00303 | [(1'S,5'R)-spiro[2,3,4,5-tetrahydropyrrole-1,8'-8λ4-azabicyclo[3.2.1]octane]-3'-yl] 2-hydroxyacetate |
|
OCC(=O)OC1CC2[N]3(C(C1)CC2)CCCC3 | 0.0003 |
| FDBF00304 | phenylmethanol |
|
c1(ccccc1)CO | 0.0168 |
| FDBF00305 | [(1'S,5'R)-spiro[2,3,4,5-tetrahydropyrrole-1,8'-8λ4-azabicyclo[3.2.1]octane]-3'-yl] formate |
|
O(C=O)C1CC2[N]3(C(C1)CC2)CCCC3 | 0.0003 |
