[3H]pyrilamine   Click here for help

GtoPdb Ligand ID: 1220

Synonyms: [3H]mepyramine
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 28.6
Molecular weight 285.18
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc(cc1)CN(c1ccccn1)CCN(C)C
Isomeric SMILES COc1ccc(cc1)CN(c1ccc(cn1)[3H])CCN(C)C
InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/i5T
InChI Key YECBIJXISLIIDS-XHHURNKPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritiopyridin-2-yl)ethane-1,2-diamine
Synonyms Click here for help
[3H]mepyramine
Database Links Click here for help
ChEMBL Ligand CHEMBL1628641
GtoPdb PubChem SID 135651192
PubChem CID 656400
Search Google for chemical match using the InChIKey YECBIJXISLIIDS-XHHURNKPSA-N
Search Google for chemicals with the same backbone YECBIJXISLIIDS
Search UniChem for chemical match using the InChIKey YECBIJXISLIIDS-XHHURNKPSA-N
Search UniChem for chemicals with the same backbone YECBIJXISLIIDS