procaine (CHEBI:8430)

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ChEBI Name	procaine

ChEBI ID	CHEBI:8430

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C13H20N2O2

Net Charge

Average Mass

236.31010

Monoisotopic Mass

236.15248

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

InChIKey

MFDFERRIHVXMIY-UHFFFAOYSA-N

SMILES

CCN(CC)CCOC(=O)c1ccc(N)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	drug allergen Any drug which causes the onset of an allergic reaction.

Application(s):	drug allergen Any drug which causes the onset of an allergic reaction. local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. central nervous system depressant A loosely defined group of drugs that tend to reduce the activity of the central nervous system. peripheral nervous system drug A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system.

ChEBI Ontology
Outgoing	procaine (CHEBI:8430) has functional parent 2-diethylaminoethanol (CHEBI:52153) procaine (CHEBI:8430) has functional parent 4-aminobenzoic acid (CHEBI:30753) procaine (CHEBI:8430) has role central nervous system depressant (CHEBI:35488) procaine (CHEBI:8430) has role drug allergen (CHEBI:88188) procaine (CHEBI:8430) has role local anaesthetic (CHEBI:36333) procaine (CHEBI:8430) has role peripheral nervous system drug (CHEBI:49110) procaine (CHEBI:8430) is a benzoate ester (CHEBI:36054) procaine (CHEBI:8430) is a substituted aniline (CHEBI:48975) procaine (CHEBI:8430) is a tertiary amino compound (CHEBI:50996) procaine (CHEBI:8430) is conjugate base of procaine(1+) (CHEBI:52160)

Incoming	procaine(1+) (CHEBI:52160) is conjugate acid of procaine (CHEBI:8430)

IUPAC Name

2-(diethylamino)ethyl 4-aminobenzoate

Synonyms	Sources
2-Diethylaminoethyl p-aminobenzoate	ChemIDplus
4-aminobenzoic acid 2-diethylaminoethyl ester	ChEBI
β-(diethylamino)ethyl 4-aminobenzoate	NIST Chemistry WebBook
β-(diethylamino)ethyl p-aminobenzoate	NIST Chemistry WebBook
novocaine	ChEBI
p-Aminobenzoic acid 2-diethylaminoethyl ester	ChemIDplus
Procaine	KEGG COMPOUND
Vitamin H3	ChemIDplus

Last Modified

12 March 2019