tolterodine   Click here for help

GtoPdb Ligand ID: 360

Synonyms: Detrol® | Detrusitol® | KABI-2234
Approved drug
tolterodine is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Marketed formulations may contain tolterodine tartrate (PubChem CID 443878).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 23.47
Molecular weight 325.24
XLogP 5.58
No. Lipinski's rules broken 1
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Canonical SMILES Cc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)O
Isomeric SMILES Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6768 tolterodine
Synonyms Click here for help
Detrol® | Detrusitol® | KABI-2234
Database Links Click here for help
Specialist databases
GPCRdb Ligand tolterodine
Other databases
CAS Registry No. 124937-51-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1382
DrugBank Ligand DB01036
DrugCentral Ligand 2705
GtoPdb PubChem SID 135651269
PubChem CID 443879
Search Google for chemical match using the InChIKey OOGJQPCLVADCPB-HXUWFJFHSA-N
Search Google for chemicals with the same backbone OOGJQPCLVADCPB
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UniChem Compound Search for chemical match using the InChIKey OOGJQPCLVADCPB-HXUWFJFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey OOGJQPCLVADCPB-HXUWFJFHSA-N
Wikipedia Tolterodine