Product Name: Benoxinate Hydrochloride
Synonyms: dorsacaine;dorsacainehydrochloride;lacrimin;novesin;novesine;ethyl 4-amino-3-butoxybenzoate hydrochloride;2-(DIETHYLAMINO)ETHYL 4-AMINO-3-BUTOXYBENZOATE HYDROCHLORIDE;4-AMINO-3-BUTOXYBENZOIC ACID DIETHYLAMINOETHYL ESTER HYDROCHLORIDE
CAS: 5987-82-6
MF: C17H29ClN2O3
MW: 344.88
EINECS: 227-808-8
Product Categories: -;AVIOCHINA
Mol File: 5987-82-6.mol
Benoxinate Hydrochloride Structure
Benoxinate Hydrochloride Chemical Properties
Melting point 157-160 C
solubility Very soluble in water, freely soluble in ethanol (96 per cent).
form neat
Merck 13,1045
InChIKey PRGUDWLMFLCODA-UHFFFAOYSA-N
CAS DataBase Reference 5987-82-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 22-26-36
RIDADR UN 1544PSN2 6.1 / PGIII
WGK Germany 3
RTECS DG1502900
HS Code 29225000
MSDS Information
Benoxinate Hydrochloride Usage And Synthesis
Chemical Properties White or almost white, crystalline powder or colourless crystals.
Uses antibacterial, coccidiostat
Uses Benoxinate Hydrochloride is a local anesthetic used in ophthalmology to numb the surface of the eye for a variety of procedures.
Uses anticonvulsant
Definition ChEBI: The monohydrochloride salt of oxybuprocaine.
Brand name Dorsacaine (Novartis).
structure and hydrogen bonding Oxybuprocaine hydrochloride acts as a local anesthetic and is used in eye drop formulations. Mod. II, the stable polymorphic form, contains two molecules with markedly different conformations (stretched and bent). The 13C CPMAS NMR spectrum of this sample12 showed crystallographic splittings arising from the fact that there are two molecules in the asymmetric unit. An INADEQUATE two-dimensional experiment was used to link signals for the same independent molecule. Of the four ethyl groups attached to NHt nitrogens, one gives rise to unusually low chemical shifts, very different from those of the other three groups. This was attributed to gamma-gauche conformational effects, and confirmed by shielding computations. The oxybuprocaine system is too large for computations performed on the crystallographic unit and the intermolecular shielding effects have to be neglected. Nevertheless, the computed shifts do match the order of the experimental ones. The assignment of 13C signals to specific carbons in the two crystallographically inequivalent molecules of oxybuprocaine polymorph showed the power of NMR crystallography.
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