[3H]irbesartan

Ligand id: 6908

Name: [3H]irbesartan    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.13
Molecular weight 428.23
XLogP 7.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Comments
The position of the tritiated hydrogen atom is unspecified by the reference describing this compound and so the radiolabel is not shown in this structure.
Database Links
ChEMBL Ligand CHEMBL1513
GtoPdb PubChem SID 178103490
PubChem CID 3749
Search Google for chemical match using the InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YOSHYTLCDANDAN
Search UniChem for chemical match using the InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YOSHYTLCDANDAN

Product suppliers

Tocris
Irbesartan
Cat. No. 5798