procaine

Ligand id: 4291

Name: procaine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.56
Molecular weight 236.15
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1972))
IUPAC Name
2-(diethylamino)ethyl 4-aminobenzoate
International Nonproprietary Names
INN number INN
975 procaine
Synonyms
Novocain®
Database Links
CAS Registry No. 59-46-1 (source: Scifinder)
ChEMBL Ligand CHEMBL569
DrugBank Ligand DB00721
PubChem CID 4914
Search Google for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MFDFERRIHVXMIY
Search PubMed clinical trials procaine
Search PubMed titles procaine
Search PubMed titles/abstracts procaine
Search UniChem for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MFDFERRIHVXMIY
Wikipedia Procaine
Comments
Procaine was approved by the FDA in combination with penicillin in 1948.
Marketed formulations may contain procaine hydrochloride (PubChem CID 5795).