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
SMILES / InChI / InChIKey
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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
InChI Key OOGJQPCLVADCPB-HXUWFJFHSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol
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
CAS Registry No. 124937-51-5 (source: Scifinder)
ChEBI CHEBI:9622
ChEMBL Ligand CHEMBL1382
DrugBank Ligand DB01036
DrugCentral Ligand 2705
GtoPdb PubChem SID 135651269
PubChem CID 443879
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Wikipedia Tolterodine