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CHEBI:3231 - butamben

ChEBI IDCHEBI:3231
ChEBI Namebutamben
Stars
DefinitionAn amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.
Last Modified22 February 2017
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCCCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
InChIKeyIUWVALYLNVXWKX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
butamben (CHEBI:3231) has functional parent 4-aminobenzoic acid (CHEBI:30753)
butamben (CHEBI:3231) has functional parent butan-1-ol (CHEBI:28885)
butamben (CHEBI:3231) has role local anaesthetic (CHEBI:36333)
butamben (CHEBI:3231) is a amino-acid ester (CHEBI:46668)
butamben (CHEBI:3231) is a benzoate ester (CHEBI:36054)
butamben (CHEBI:3231) is a primary amino compound (CHEBI:50994)
butamben (CHEBI:3231) is a substituted aniline (CHEBI:48975)
butamben (CHEBI:3231) is conjugate base of butamben(1+) (CHEBI:86302)
Incoming Relation(s)
butamben picrate (CHEBI:86300) has part butamben (CHEBI:3231)
butamben(1+) (CHEBI:86302) is conjugate acid of butamben (CHEBI:3231)
IUPAC Name 
butyl 4-aminobenzoate
Synonyms  Source
4-(butoxycarbonyl)anilineChemIDplus
n-butyl p-aminobenzoateChemIDplus
4-aminobenzoic acid butyl esterChemIDplus
p-aminobenzoic acid butyl esterChemIDplus
butyl p-aminobenzoateChemIDplus
butyl aminobenzoateChEBI
Brand Names  Source
PlanoformChemIDplus
ButesinChemIDplus
ButoformChemIDplus
ScuroformChemIDplus
ScuroformeChemIDplus
Manual XrefsDatabases
C07875KEGG COMPOUND
D00730KEGG DRUG
ButambenWikipedia
US1440652Patent
GB252870Patent
LSM-5413LINCS
3051DrugCentral
Registry NumbersSources
Reaxys:1211465Reaxys
CAS:94-25-7KEGG COMPOUND
CAS:94-25-7ChemIDplus
Citations