tertatolol

Ligand id: 571

Name: tertatolol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 66.79
Molecular weight 295.16
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-ol
International Nonproprietary Names
INN number INN
5211 tertatolol
Synonyms
S-2395
Database Links
BindingDB Ligand 50280934
CAS Registry No. 83688-84-0 (source: Scifinder)
ChEMBL Ligand CHEMBL434200
PubChem CID 36920
Search Google for chemical match using the InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HTWFXPCUFWKXOP
Search PubMed clinical trials tertatolol
Search PubMed titles tertatolol
Search PubMed titles/abstracts tertatolol
Search UniChem for chemical match using the InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HTWFXPCUFWKXOP
Wikipedia Tertatolol
Comments
The INN-assigned compound tertatolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.