oxybuprocaine (CHEBI:309594)

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ChEBI Name	oxybuprocaine

ChEBI ID	CHEBI:309594

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C17H28N2O3

Net Charge

Average Mass

308.41580

Monoisotopic Mass

308.20999

InChI

InChI=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

InChIKey

CMHHMUWAYWTMGS-UHFFFAOYSA-N

SMILES

CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	drug allergen Any drug which causes the onset of an allergic reaction.

Application(s):	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. 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.

ChEBI Ontology
Outgoing	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	oxybuprocaine hydrochloride (CHEBI:31260) has part oxybuprocaine (CHEBI:309594)

IUPAC Name

2-(diethylamino)ethyl 4-amino-3-butoxybenzoate

Synonyms	Sources
4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid	ChemIDplus
4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl ester	ChEMBL
4-Amino-3-n-butoxy-benzoesäure-diäthylaminoäthylester	ChemIDplus
Benoxil	ChemIDplus
BENOXINATE	ChEMBL
Benoxinate	DrugBank
Butoxyaminobenzoyldiethylaminoethanol	ChemIDplus
Oxbarukain	HMDB
Oxibuprokain	HMDB
Oxybucaine	ChemIDplus
Oxyriprocaine	ChemIDplus

Last Modified

07 March 2019

General Comment
2010-12-09	A local anaesthetic, oxybuprocaine is used as solutions of the hydrochloride for surface anaesthesia, particularly for the eye, ear, nose and throat.