Benoxinate hydrochloride

Base Information

• Chemical Name: Benoxinate hydrochloride
• CAS No.: 5987-82-6
• Molecular Formula: C17H29ClN2O3
• Molecular Weight: 344.882
• Hs Code.: DERIVATION
• European Community (EC) Number: 227-808-8
• NSC Number: 759847
• UNII: 0VE4U49K15
• DSSTox Substance ID: DTXSID4045393
• Wikidata: Q27114248
• NCI Thesaurus Code: C65251
• RXCUI: 235398
• ChEMBL ID: CHEMBL1200654
• Mol file: 5987-82-6.mol

Synonyms:benoxinate;benoxinate dihydrochloride;benoxinate hydrochloride;benoxinate monohydrochloride;butoxyprocaine;diethylaminoethyl-4-amino-3-butoxybenzoate;Novescine;Novesin;oxybuprocaine

Chemical Property of Benoxinate hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 3.51E-08mmHg at 25°C
• Melting Point: 158 - 162oC
• Boiling Point: 446.9 °C at 760 mmHg
• Flash Point: 224.1 °C
• PSA: 64.79000
• LogP: 4.32950
• Storage Temp.: 2-8°C
• Solubility.: Very soluble in water, freely soluble in ethanol (96 per cent).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 344.1866705
• Heavy Atom Count: 23
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

Benoxinate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.Cl
• Recent ClinicalTrials: Hemodynamic Response to Pain During Retinopathy Of Prematurity Screening
• Recent EU Clinical Trials: Phase IV, open-label, randomized clinical trial to evaluate the effects of Fydrane? and standard topical mydriatics and anaesthetics protocol on ocular surface after cataract surgery.
• Uses: Benoxinate Hydrochloride is a local anesthetic used in ophthalmology to numb the surface of the eye for a variety of procedures. anticonvulsant
• Therapeutic Function: Local anesthetic
• Clinical Use: Benoxinate hydrochloride is a topical anesthetic. Benoxinate hydrochloride ophthalmic solution, 0.4%, was originally permitted in 1953 as Dorsacaine under NDA 08-729. The product was reviewed as part of the Drug Efficacy Study Implementation (DESI), found to be effective, approved and marketed by Dorsey until 1980. An abbreviated new drug application (ANDA) was also approved [Sola Barnes Hind (ANDA 84-149)] and marketed until 1991.

Technology Process of Benoxinate hydrochloride

There total 6 articles about Benoxinate hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.06%

benoxinate (99-43-4) → oxybuprocaine hydrochloride (5987-82-6)

Guidance literature:

With hydrogenchloride; In butanone; at -5 - 0 ℃; for 6h; pH=2-3;

Reference yield: 82.5%

4-nitro-3-butoxybenzoic acid-2-(diethylamino)ethyl ester hydrochloride → oxybuprocaine hydrochloride (5987-82-6)

Guidance literature:

With iron(III) chloride; pyrographite; hydrazine hydrate; In ethanol; for 5h; Reflux;

Reference yield:

ethyl 3-hydroxy-4-nitro-benzoate (717-01-1) → oxybuprocaine hydrochloride (5987-82-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 14 h / 80 °C

2.1: sodium hydroxide / 1 h / 60 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

3.2: 6 h / 40 °C

4.1: pyrographite; hydrazine hydrate; iron(III) chloride / ethanol / 5 h / Reflux

With iron(III) chloride; potassium carbonate; pyrographite; hydrazine hydrate; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

ethyl 3-hydroxy-4-nitro-benzoate

benoxinate

methyl 3-hydroxy-4-nitrobenzoate

methyl 3-butoxy-4-nitrobenzoate

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