Trospium
[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
Molecular Identity
Trospium
[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID: 5284632
Trospium is a carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-85-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a tertiary alcohol, a carboxylic ester, a quaternary ammonium ion and an azabicycloalkane.
2D Structure
Properties
C25H30NO3+
Molecular Formula
392.50
Molecular Weight
g/mol
392.2226
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
553
Complexity
SMILES
Canonical SMILES
SMILES: C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)OIsomeric SMILES
SMILES: C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)OSynonyms(20)
TrospiumTrospium cation47608-32-2Trospium ionUNII-T4Y8ORK057T4Y8ORK057FlotrosRegurin3alpha-Hydroxyspiro(1alphah,5alphah-nortropane-8,1'-pyrrolidinium) benzilate[(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetateNCGC00167438-01NCGC00167438-02tropsium cationtropsium ionRegurin xl
Data from PubChem (NCBI)
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