CHEBI:116735 - benzocaine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C9H11NO2
Net Charge 0
Average Mass 165.18910
Monoisotopic Mass 165.079
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 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.
View more via ChEBI Ontology
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
INNs Sources
Benzocaina ChemIDplus
Benzocaine ChemIDplus
Benzocainum ChemIDplus
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
Manual Xrefs Databases
323 DrugCentral
Benzocaine Wikipedia
C07527 KEGG COMPOUND
D00552 KEGG DRUG
DB01086 DrugBank
HMDB0004992 HMDB
LSM-5830 LINCS
View more database links
Registry Numbers Types Sources
638434 Beilstein Registry Number Beilstein
638434 Reaxys Registry Number Reaxys
94-09-7 CAS Registry Number KEGG COMPOUND
94-09-7 CAS Registry Number ChemIDplus
94-09-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10866370 PubMed citation ChEMBL
1155304 PubMed citation Europe PMC
12574744 PubMed citation Europe PMC
12873507 PubMed citation ChEMBL
16640711 PubMed citation Europe PMC
18971079 PubMed citation Europe PMC
21616561 PubMed citation Europe PMC
22015737 PubMed citation Europe PMC
22105694 PubMed citation Europe PMC
22551703 PubMed citation Europe PMC
22556388 PubMed citation Europe PMC
23301559 PubMed citation Europe PMC
23565580 PubMed citation Europe PMC
23696166 PubMed citation Europe PMC
25097477 PubMed citation Europe PMC
2579237 PubMed citation ChEMBL
29079364 PubMed citation Europe PMC
Last Modified
19 January 2018