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®
Comments
Procaine was approved by the FDA in combination with penicillin in 1948.
Marketed formulations may contain procaine hydrochloride (PubChem CID 5795).
Database Links
CAS Registry No. 59-46-1 (source: Scifinder)
ChEMBL Ligand CHEMBL569
DrugBank Ligand DB00721
GtoPdb PubChem SID 178101108
PubChem CID 4914
Search Google for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
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Wikipedia Procaine