Molecular Identity
Procaine
2-(diethylamino)ethyl 4-aminobenzoate
PubChem CID: 4914
Procaine is a benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol. It has a role as a central nervous system depressant, a local anaesthetic, a peripheral nervous system drug and a drug allergen. It is a benzoate ester, a substituted aniline and a tertiary amino compound. It is functionally related to a 4-aminobenzoic acid and a 2-diethylaminoethanol. It is a conjugate base of a procaine(1+).
2D Structure
Properties
C13H20N2O2
Molecular Formula
236.31
Molecular Weight
g/mol
236.1525
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
55.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
221
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NIsomeric SMILES
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NSynonyms(20)
procaine59-46-12-(Diethylamino)ethyl 4-aminobenzoateSpinocaineProcainVitamin H3DuracaineNissocaineNovocaineProcaine, baseProcainaScurocaineBenzoic acid, 4-amino-, 2-(diethylamino)ethyl esterProcainum2-Diethylaminoethyl 4-aminobenzoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Procaine
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