trospium   Click here for help

GtoPdb Ligand ID: 7480

Synonyms: Flotros® | IP-631 | IP631 | Regurin® | Sanctura®
Approved drug
trospium is an approved drug (FDA (2004))
Compound class: Synthetic organic
Comment: The marketed product contains trospium chloride (PubChem CID 107979). Note that the INN record for trospium chloride represents a chiral molecule, the closest PubChem match being AC1NR4SW. Our representation and those contained in our links show the non-isomeric molecule.
Trospium is a peripherally restricted muscarinic receptor antagonist.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.53
Molecular weight 392.22
XLogP 4.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1
Isomeric SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1
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
InChI Key OYYDSUSKLWTMMQ-UHFFFAOYSA-N
No information available.
Summary of Clinical Use Click here for help
Trospium chloride is a muscarinic antagonist used clinically as a urinary antispasmodic, indicated for the treatment of overactive bladder syndrome.
An oral dual-drug fixed-dose combination of the M1/M4 receptor agonist xanomeline and trospium (known as KarXT™) is proposed as as novel schizophrenia therapy [1,3].
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Trospium chloride is a muscarinic antagonist [2]. The parasympatholytic action of trospium chloride, induces relaxation of the detrusor muscle in the wall of the bladder and reduces over all muscle tone in the bladder, thereby increasing volume and decreasing the symptoms of urge incontinence, urgency, and urinary frequency associated with overactive bladder syndrome.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03697252 A Study to Assess Safety and Efficacy of KarXT in Adult Patients With Schizophrenia Phase 2 Interventional Karuna Therapeutics
NCT04659161 A Study to Assess Efficacy and Safety of KarXT in Acutely Psychotic Hospitalized Adult Patients With Schizophrenia (EMERGENT-2) Phase 3 Interventional Karuna Therapeutics
External links Click here for help
For extended ADME data see the following:

Electronic Medicines Compendium (eMC)
Drugs.com