procaine   Click here for help

GtoPdb Ligand ID: 4291

Synonyms: Novocain®
Approved drug
procaine is an approved drug (FDA (1972))
Compound class: Synthetic organic
Comment: Procaine was approved by the FDA in combination with penicillin in 1948.
Marketed formulations may contain procaine hydrochloride (PubChem CID 5795). In the WHO Essential Medicines list as procaine benzylpenicillin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.56
Molecular weight 236.15
XLogP 1.84
No. Lipinski's rules broken 0
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Canonical SMILES CCN(CCOC(=O)c1ccc(cc1)N)CC
Isomeric SMILES CCN(CCOC(=O)c1ccc(cc1)N)CC
InChI InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1972))
IUPAC Name Click here for help
2-(diethylamino)ethyl 4-aminobenzoate
International Nonproprietary Names Click here for help
INN number INN
975 procaine
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 59-46-1 (source: Scifinder)
DrugBank Ligand DB00721
DrugCentral Ligand 2271
GtoPdb PubChem SID 178101108
PubChem CID 4914
Search Google for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MFDFERRIHVXMIY-UHFFFAOYSA-N
Wikipedia Procaine