CHEBI:309594 - oxybuprocaine

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.
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.
drug allergen  Any drug which causes the onset of an allergic reaction.
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
oxybuprocaineChemIDplus
oxibuprocainaChemIDplus
oxybuprocainumChemIDplus
Synonyms  Source
4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl esterChEMBL
BENOXINATEChEMBL
BenoxinateDrugBank
4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acidChemIDplus
4-Amino-3-n-butoxy-benzoesäure-diäthylaminoäthylesterChemIDplus
BenoxilChemIDplus
Manual XrefsDatabases
DB00892DrugBank
D08319KEGG DRUG
GB654484Patent
OxybuprocaineWikipedia
HMDB0015029HMDB
LSM-2069LINCS
3016DrugCentral
Registry NumbersSources
Reaxys:2288926Reaxys
CAS:99-43-4ChemIDplus
CAS:99-43-4NIST Chemistry WebBook
Citations