amidephrine

Ligand id: 514

Name: amidephrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 86.81
Molecular weight 244.09
XLogP 0.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-(1-hydroxy-2-methylaminoethyl)phenyl]methanesulfonamide
International Nonproprietary Names
INN number INN
1751 amidefrine mesilate
Database Links
BindingDB Ligand 50027070
CAS Registry No. 37571-84-9 (source: Scifinder)
ChEMBL Ligand CHEMBL146408
GtoPdb PubChem SID 135649935
PubChem CID 15010
Search Google for chemical match using the InChIKey ZHOWHMXTJFZXRB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZHOWHMXTJFZXRB
Search PubMed clinical trials amidefrine mesilate
Search PubMed titles amidefrine mesilate
Search PubMed titles/abstracts amidefrine mesilate
Search UniChem for chemical match using the InChIKey ZHOWHMXTJFZXRB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZHOWHMXTJFZXRB
Wikipedia Amidephrine