[3H]paroxetine   

GtoPdb Ligand ID: 4561

Synonyms: [3H]-paroxetine
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.72
Molecular weight 329.14
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2
Isomeric SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc2OCOc2cc1[3H]
InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1/i5T
InChI Key AHOUBRCZNHFOSL-RXMHWKDRSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S,4R)-4-(4-fluorophenyl)-3-[(6-tritio-1,3-benzodioxol-5-yl)oxymethyl]piperidine
Synonyms
[3H]-paroxetine
Database Links
ChEMBL Ligand CHEMBL1628650
GtoPdb PubChem SID 178101282
PubChem CID 53316721
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