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CHEBI:309594 - oxybuprocaine

Default Structure
ChEBI IDCHEBI:309594
ChEBI Nameoxybuprocaine
Stars
DefinitionA benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology.
Last Modified7 March 2019
DownloadsMolfile
FormulaC17H28N2O3
Net Charge0
Average Mass308.422
Monoisotopic Mass308.20999
SMILESCCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
InChIInChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
InChIKeyCMHHMUWAYWTMGS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Applications:
topical anaesthetic  A local anesthetic that is used to numb the surface of a body part.
drug allergen  Any drug which causes the onset of an allergic reaction.
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)
oxybuprocaine (CHEBI:309594) has functional parent 2-diethylaminoethanol (CHEBI:52153)
oxybuprocaine (CHEBI:309594) has role drug allergen (CHEBI:88188)
oxybuprocaine (CHEBI:309594) has role local anaesthetic (CHEBI:36333)
oxybuprocaine (CHEBI:309594) has role topical anaesthetic (CHEBI:48425)
oxybuprocaine (CHEBI:309594) is a amino-acid ester (CHEBI:46668)
oxybuprocaine (CHEBI:309594) is a benzoate ester (CHEBI:36054)
oxybuprocaine (CHEBI:309594) is a substituted aniline (CHEBI:48975)
oxybuprocaine (CHEBI:309594) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
oxybuprocaine hydrochloride (CHEBI:31260) has part oxybuprocaine (CHEBI:309594)
IUPAC Name 
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate
INNs  Source
oxibuprocainaChemIDplus
oxybuprocaineChemIDplus
oxybuprocainumChemIDplus
Synonyms  Source
4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acidChemIDplus
4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl esterChEMBL
4-Amino-3-n-butoxy-benzoesäure-diäthylaminoäthylesterChemIDplus
BenoxilChemIDplus
BenoxinateDrugBank
BENOXINATEChEMBL
Manual XrefsDatabases
3016DrugCentral
D08319KEGG DRUG
DB00892DrugBank
GB654484Patent
HMDB0015029HMDB
LSM-2069LINCS
OxybuprocaineWikipedia
Registry NumbersSources
Reaxys:2288926Reaxys
CAS:99-43-4NIST Chemistry WebBook
CAS:99-43-4ChemIDplus
Citations