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:
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.
topical anaesthetic  A local anesthetic that is used to numb the surface of a body part.
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
benoxinateChEMBL
BenoxinateDrugBank
Manual XrefsDatabases
3016DrugCentral
D08319KEGG DRUG
DB00892DrugBank
GB654484Patent
HMDB0015029HMDB
LSM-2069LINCS
OxybuprocaineWikipedia
Registry NumbersSources
Reaxys:2288926Reaxys
CAS:99-43-4ChemIDplus
CAS:99-43-4NIST Chemistry WebBook
Citations