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
1. Gillberg PG, Sundquist S, Nilvebrant L. (1998)
Comparison of the in vitro and in vivo profiles of tolterodine with those of subtype-selective muscarinic receptor antagonists.
Eur J Pharmacol, 349 (2-3): 285-92. [PMID:9671109]
2. Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A et al.. (2010)
AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder.
Br J Pharmacol, 160 (5): 1119-27. [PMID:20590605]