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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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2004))
IUPAC Name Click here for help
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-di(phenyl)acetate
International Nonproprietary Names Click here for help
INN number INN
3001 trospium chloride
Synonyms Click here for help
Flotros® | IP-631 | IP631 | Regurin® | Sanctura®
Database Links Click here for help
ChEMBL Ligand CHEMBL1201344
DrugBank Ligand DB00209
GtoPdb PubChem SID 187051783
PubChem CID 5596
Search Google for chemical match using the InChIKey OYYDSUSKLWTMMQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OYYDSUSKLWTMMQ
Search PubMed clinical trials trospium chloride
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Search PubMed titles/abstracts trospium chloride
UniChem Compound Search for chemical match using the InChIKey OYYDSUSKLWTMMQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OYYDSUSKLWTMMQ-UHFFFAOYSA-N
Wikipedia Trospium chloride