fesoterodine   Click here for help

GtoPdb Ligand ID: 7473

Synonyms: SPM-8272 | SPM-907 | Toviaz®
Approved drug
fesoterodine is an approved drug (EMA (2007), FDA (2008))
Compound class: Synthetic organic
Comment: The marketed formulation contains the fumarate compound (PubChem CID 9849808). Fesoterodine is an antimuscarinic prodrug, with the active metabolite being 5-hydroxymethyl tolterodine (5-HMT, PubChem CID 9819382).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 49.77
Molecular weight 411.28
XLogP 5.07
No. Lipinski's rules broken 2
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Canonical SMILES OCc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C
Isomeric SMILES OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2007), FDA (2008))
IUPAC Name Click here for help
[2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate
International Nonproprietary Names Click here for help
INN number INN
8068 fesoterodine
Synonyms Click here for help
SPM-8272 | SPM-907 | Toviaz®
Database Links Click here for help
CAS Registry No. 286930-03-8
ChEMBL Ligand CHEMBL1201764
DrugBank Ligand DB06702
DrugCentral Ligand 4191, 4191
GtoPdb PubChem SID 187051776
PubChem CID 6918558
Search Google for chemical match using the InChIKey DCCSDBARQIPTGU-HSZRJFAPSA-N
Search Google for chemicals with the same backbone DCCSDBARQIPTGU
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UniChem Compound Search for chemical match using the InChIKey DCCSDBARQIPTGU-HSZRJFAPSA-N
UniChem Connectivity Search for chemical match using the InChIKey DCCSDBARQIPTGU-HSZRJFAPSA-N
Wikipedia Fesoterodine