benzocaine (CHEBI:116735)

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ChEBI Name	benzocaine

ChEBI ID	CHEBI:116735

Definition	A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.

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

Secondary ChEBI IDs	CHEBI:3030

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Formula

C9H11NO2

Net Charge

Average Mass

165.18910

Monoisotopic Mass

165.07898

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

InChIKey

BLFLLBZGZJTVJG-UHFFFAOYSA-N

SMILES

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):	sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

Application(s):	antipruritic drug A drug, usually applied topically, that relieves pruritus (itching). topical anaesthetic A local anesthetic that is used to numb the surface of a body part.

ChEBI Ontology
Outgoing	benzocaine (CHEBI:116735) has role allergen (CHEBI:50904) benzocaine (CHEBI:116735) has role antipruritic drug (CHEBI:59683) benzocaine (CHEBI:116735) has role sensitiser (CHEBI:139492) benzocaine (CHEBI:116735) has role topical anaesthetic (CHEBI:48425) benzocaine (CHEBI:116735) is a benzoate ester (CHEBI:36054) benzocaine (CHEBI:116735) is a substituted aniline (CHEBI:48975)

IUPAC Name

ethyl 4-aminobenzoate

Synonyms	Sources
4-aminobenzoic acid ethyl ester	ChEBI
Amben ethyl ester	NIST Chemistry WebBook
Ethyl aminobenzoate	KEGG COMPOUND
Ethyl p-aminobenzoate	NIST Chemistry WebBook
Ethyl p-aminophenylcarboxylate	NIST Chemistry WebBook
p-(Ethoxycarbonyl)aniline	NIST Chemistry WebBook
p-Carbethoxyaniline	NIST Chemistry WebBook
p-Ethoxycarboxylic aniline	NIST Chemistry WebBook

Last Modified

19 January 2018