labetalol

Ligand id: 7207

Name: labetalol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 96.57
Molecular weight 328.18
XLogP 5.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1984))
IUPAC Name
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzene-1-carboximidic acid
International Nonproprietary Names
INN number INN
3941 labetalol
Synonyms
AH-5158A | Normodyne® | SCH-15719W | Trandate®
Database Links
CAS Registry No. 36894-69-6
ChEMBL Ligand CHEMBL429
DrugBank Ligand DB00598
GtoPdb PubChem SID 178103782
PubChem CID 3869
Search Google for chemical match using the InChIKey SGUAFYQXFOLMHL-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey SGUAFYQXFOLMHL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SGUAFYQXFOLMHL
Wikipedia Labetalol
Comments
Marketed formulations may contain labetalol hydrochloride (PubChem CID 71412).