2-(3-Amino-4-propoxybenzoyl)oxyethyl-diethylazanium;chloride
Basic information
- CAS
5875-06-9- Standard SMILES
CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N.[Cl-]- InChIKey
BFUUJUGQJUTPAF-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O3
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1710204
Overview
See also: Proparacaine Hydrochloride (preferred); Proparacaine (has active moiety); Fluorescein sodium; proparacaine hydrochloride (component of).
Names & identifiers
- Preferred name
- 2-(3-Amino-4-propoxybenzoyl)oxyethyl-diethylazanium;chloride
- IUPAC
- 2-(3-amino-4-propoxybenzoyl)oxyethyl-diethylazanium chloride
- English name
- Proparacaine hydrochloride
- Molecular formula
- C16H27ClN2O3
- Molecular weight
- 330.85
Names & synonyms
AKOS0267498322-(3-amino-4-propoxybenzoyl)oxyethyl-diethylazanium;chloridePROPARACAINE HCLalcaineophthainophthetickeracainechibro-heracaineProparacaine HCIProparacaine HydrochLophthainehydrochloridePROPARACAINE HYDROCHLORIDE
Database identifiers
- CAS
5875-06-9- PubChem CID
- 22169
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 182 · 182.0-183.3°
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol, Water
- form
- Solid
- pka
- 3.2 · 3.2(at 25℃)
- color
- White to Off-White
- λmax
- 300 nm · 300nm(MeOH)(lit.)
- Merck
- 14 · 14,7807
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H
- InChIKey
- BFUUJUGQJUTPAF-UHFFFAOYSA-N
- SMILES
- C(OCCN(CC)CC)(=O)C1=CC=C(OCCC)C(N)=C1.[H]Cl
- CAS DataBase Reference
- 5875 · 5875-06-9(CAS DataBase Reference)
- FDA UNII
- 96 OL57GOY · U96OL57GOY
- UNSPSC Code
- 41116107 · 41116107
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DG3065000
- hs_code
- 2922504500
- risk_code
- 20/21/22-36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302+H312+H332-H317-H319
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
DescriptionProparacaine Hydrochloride is the hydrochloride salt form of proparacaine, a benzoic acid derivative with local anesthetic property. Proparacaine hydrochloride stabilizes the neuronal membrane by binding to and inhibiting voltage-gated sodium channels, thereby inhibiting sodium ion influx required for the initiation and conduction of impulses within the neuronal cell, and resulting in a loss of sensation.
UsesTopical anesthetic (ophthalmic); Neuronal conductance inhibitor.
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