[3H]nisoxetine   

GtoPdb Ligand ID: 4636

Synonyms: [3H]-nisoxetine
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 30.49
Molecular weight 271.16
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCC(c1ccccc1)Oc1ccccc1OC
Isomeric SMILES COc1ccccc1OC(c1ccccc1)CCNC([3H])([3H])[3H]
InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/i1T3
InChI Key ITJNARMNRKSWTA-RLXJOQACSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(2-methoxyphenoxy)-3-phenyl-N-(tritritiomethyl)propan-1-amine
Synonyms
[3H]-nisoxetine
Database Links
ChEMBL Ligand CHEMBL1628648
GtoPdb PubChem SID 178101354
PubChem CID 53323310
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