Compound: Oxybuprocaine
SMILES: O=C(OCCN(CC)CC)c1cc(OCCCC)c(N)cc1
InChIKey: CMHHMUWAYWTMGS-UHFFFAOYSA-N
Synonyms: Oxybuprocaine, Benoxinate, 99-43-4, Oxybucaine, 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate, Oxibuprokain, Oxyriprocaine, Conjucain, Dorsacain, Oxibuprocaina, Oxybuprocainum, Butoxyaminobenzoyldiethylaminoethanol, Monofree oxybuprocaine, BENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, 4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid, 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester, CHEBI:309594, AXQ0JYM303, 4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl ester, DTXSID7048530, butoxyprocaine, diethylaminoethyl-4-amino-3-butoxybenzoate, RefChem:857820, DTXCID4027997, D04AB03, S01HA02, Oxibuprocainum, Prescaina, Novesinol, Novesin, S 749, Oxybuprocaine (INN), MFCD00242863, 4-Amino-3-butoxybenzoic acid 2-diethylaminoethyl ester, 2-(Diethylamino)ethyl 4-amino-3-butoxy-benzoate, 3-Butoxy-4-aminobenzoic acid 2-diethylaminoethyl ester, OXYBUPROCAINE [INN], BENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, Oxybuprocaine [INN:BAN], Benoxinate;Conjucain; Dorsacain; Novesinol; Oxybucaine, Oxybuprocainum [INN-Latin], Oxibuprocaina [INN-Spanish], SMR000857098, 2-Diethylaminoethyl 4-amino-3-butoxybenzoate, 4-Amino-3-butoxybenzoic acid 2-(diethylamino)ethyl ester, NCGC00016667-01, CAS-5987-82-6, UNII-AXQ0JYM303, BRN 2288926, Monofree oxybuprocaine (TN), 4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester [German], BNX, Minims Oxybuprocaine, 3-Butoxy-4-aminobenzoic acid 2-(diethylamino)ethyl ester, BENOXINATE [MI], Prestwick0_000057, Prestwick1_000057, Prestwick2_000057, Prestwick3_000057, BENOXINATE [VANDF], Epitope ID:122669, CHEMBL1200, 2-(diethylamino)ethyl 4-amino-3-n-butoxybenzoate, SCHEMBL25087, BSPBio_000213, MLS001332643, MLS001332644, SPBio_002134, OXYBUPROCAINE [WHO-DD], BPBio1_000235, GTPL7123, orb1710709, SCHEMBL30849863, HY-B1288A, 2-(4-amino-3-butoxybenzoyl)oxyethyl-diethylazanium chloride, HMS2235J23, HMS3369H13, HMS3604F05, ALBB-025704, BBL003343, BDBM50225499, EBC-26570, MSK162626, SBB065174, STK520615, T0378L, AKOS005457803, Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester (7CI,8CI,9CI), DB00892, NCGC00016667-02, NCGC00016667-05, BS-18026, DA-76519, 4675B, CS-0013333, NS00002761, ST45028778, 2-(Diethylamino)ethyl4-amino-3-butoxybenzoate, D08319, D83117, EN300-17989125, Q1530958, BRD-K04185004-003-03-6, BRD-K04185004-003-11-9, BRD-K04185004-003-12-7, BRD-K04185004-003-13-5
Theoretical properties:
molecular_formula: C17H28N2O3
molecular_weight: 308.4 g/mol
exact_mass: 308.20999276 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 11
heavy_atom_count: 22
topological_polar_surface_area: 64.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Very soluble (hydrochloride salt)
Descriptions:
pubchem: Oxybuprocaine is 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. It has a role as a local anaesthetic, a topical anaesthetic and a drug allergen. It is a benzoate ester, an amino-acid ester, a substituted aniline and a tertiary amino compound. It is functionally related to a 2-diethylaminoethanol.
chebi: 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.
chembl: BENOXINATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Oxybuprocaine (INN), also known as benoxinate or BNX, is an ester-type local anesthetic, which is used especially in ophthalmology and otolaryngology. Oxybuprocaine is sold by Novartis under the brand names Novesine or Novesin.
Safety for use in pregnancy and lactation has not been established.