Proparacaine hydrochloride supplier

Name
Proparacaine hydrochloride
EINECS 227-541-7
CAS No. 5875-06-9
Density
Solubility
Melting Point 182.0-183.3°
Formula C₁₆H₂₇ClN₂O₃
Boiling Point 434.4 °C at 760 mmHg
Molecular Weight 330.855
Flash Point 216.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 20/21/22-36-43
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, monohydrochloride(8CI,9CI);2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride;2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate monohydrochloride;Chibro-keracaine;Fluoracaine;Ophthain;Ophthaine hydrochloride;Ophthetic;
PSA 64.79000
LogP 3.93940

Synthetic route

: 5875-06-9
proparacaine hydrochloride

: 102088-39-1
calix[6]arene-p-hexasulfonic acid

: C16H26N2O3*C42H36O24S6

Conditions

Conditions	Yield
In water at 24.84℃; for 1h;

: 5875-06-9
proparacaine hydrochloride

: 7585-39-9
fipronilβ-cyclodextrin

: 521964-96-5
β-cyclodextrin

Conditions

Conditions	Yield
In water at 24.84℃; for 1h;

Proparacaine hydrochloride Specification

The Proparacaine hydrochloride, with the CAS registry number 5875-06-9, is also known as 2-[(3-Amino-4-propoxybenzoyl)oxy]-N,N-diethylethanaminium chloride. It belongs to the classification codes of Anesthetic [topical, ophthalmic]; Drug / Therapeutic Agent. Its EINECS registry number is 227-541-7. This chemical's molecular formula is C₁₆H₂₇ClN₂O₃ and molecular weight is 330.85. What's more, its IUPAC name is called 2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride.

Physical properties about Proparacaine hydrochloride are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.27; (7)ACD/KOC (pH 5.5): 1.53; (8)ACD/KOC (pH 7.4): 25.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 38.77 Å²; (13)Flash Point: 216.5 °C; (14)Enthalpy of Vaporization: 69.05 kJ/mol; (15)Boiling Point: 434.4 °C at 760 mmHg; (16)Vapour Pressure: 9.5E-08 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes and may cause sensitisation by skin contact. Therefor, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(OCC[NH+](CC)CC)c1ccc(OCCC)c(c1)N
(2) 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
(3) InChIKey: BFUUJUGQJUTPAF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	3371ug/kg (3.371mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 269, 1958.
mouse	LD50	subcutaneous	64mg/kg (64mg/kg)		Annales Pharmaceutiques Francaises. Vol. 40, Pg. 133, 1982.

Product Name

Proparacaine hydrochloride

Synthetic route

Proparacaine hydrochloride Specification

Related Products

Hot Products