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CHEBI:81494 - tricaine

Default Structure
ChEBI IDCHEBI:81494
ChEBI Nametricaine
Stars
DefinitionA benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish.
Last Modified1 April 2016
DownloadsMolfile
FormulaC9H11NO2
Net Charge0
Average Mass165.192
Monoisotopic Mass165.07898
SMILESCCOC(=O)c1cccc(N)c1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
InChIKeyZMCBYSBVJIMENC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
general anaesthetic  Substance that produces loss of consciousness.
ChEBI Ontology
Outgoing Relation(s)
tricaine (CHEBI:81494) has functional parent 3-aminobenzoic acid (CHEBI:42682)
tricaine (CHEBI:81494) has role general anaesthetic (CHEBI:38869)
tricaine (CHEBI:81494) is a benzoate ester (CHEBI:36054)
tricaine (CHEBI:81494) is a substituted aniline (CHEBI:48975)
tricaine (CHEBI:81494) is conjugate base of tricaine(1+) (CHEBI:131337)
Incoming Relation(s)
tricaine(1+) (CHEBI:131337) is conjugate acid of tricaine (CHEBI:81494)
IUPAC Name 
ethyl 3-aminobenzoate
Synonyms  Source
3-Aminobenzoic acid ethyl esterChemIDplus
3-(Ethoxycarbonyl)anilineChemIDplus
AI3-02743ChemIDplus
Ethyl m-aminobenzoateChemIDplus
m-Aminobenzoic acid, ethyl esterNIST Chemistry WebBook
metacaineChEBI
Manual XrefsDatabases
C18090KEGG COMPOUND
FG7PDBeChem
Tricaine_mesylateWikipedia
Registry NumbersSources
Reaxys:1101967Reaxys
CAS:582-33-2ChemIDplus
CAS:582-33-2KEGG COMPOUND
CAS:582-33-2NIST Chemistry WebBook