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CHEBI:116735 - benzocaine

ChEBI IDCHEBI:116735
ChEBI Namebenzocaine
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:3030
Last Modified19 January 2018
DownloadsMolfile
FormulaC9H11NO2
Net Charge0
Average Mass165.192
Monoisotopic Mass165.07898
SMILESCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyBLFLLBZGZJTVJG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
Applications:
topical anaesthetic  A local anesthetic that is used to numb the surface of a body part.
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
ChEBI Ontology
Outgoing Relation(s)
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
INNs  Source
BenzocainaChemIDplus
BenzocaineChemIDplus
BenzocainumChemIDplus
Synonyms  Source
4-aminobenzoic acid ethyl esterChEBI
Amben ethyl esterNIST Chemistry WebBook
Ethyl aminobenzoateKEGG COMPOUND
Ethyl p-aminobenzoateNIST Chemistry WebBook
Ethyl p-aminophenylcarboxylateNIST Chemistry WebBook
p-CarbethoxyanilineNIST Chemistry WebBook
Manual XrefsDatabases
323DrugCentral
BenzocaineWikipedia
C07527KEGG COMPOUND
D00552KEGG DRUG
DB01086DrugBank
HMDB0004992HMDB
LSM-5830LINCS
Registry NumbersSources
Reaxys:638434Reaxys
Beilstein:638434Beilstein
CAS:94-09-7KEGG COMPOUND
CAS:94-09-7NIST Chemistry WebBook
CAS:94-09-7ChemIDplus
Citations