CAS No.2192-20-3,Hydroxyzine dihydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2192-20-3
Name:	Hydroxyzine dihydrochloride
Article Data:	1

Formula:	C₂₁H₂₇ClN₂O₂^.2(HCl)
Molecular Weight:	447.832
Synonyms:	Ethanol,2-[2-[4-(p-chloro-a-phenylbenzyl)-1-piperazinyl]ethoxy]-, dihydrochloride (8CI);1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]diethylenediaminedihydrochloride;2-[2-[4-(p-Chloro-a-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol dihydrochloride;Alamon;Atarax;Atarax dihydrochloride;Aterax;Atranine A;Durrax;Hydroxyzinedihydrochloride;Neurolax;Orgatrax;QYS;Quiess;
EINECS:	218-586-3
Density:	1.182 g/cm3
Melting Point:	190-192 °C
Boiling Point:	499.2 °C at 760 mmHg
Flash Point:	255.7 °C
Solubility:	soluble in water
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	35.94000
LogP:	4.53570

Synthetic route

: 303-26-4
N-(4-chlorobenzhydryl)piperazine

: 628-89-7
2-(2-Chloroethoxy)ethanol

: 2192-20-3
hydroxyzine dihydrochloride

Conditions

Conditions	Yield
Stage #1: N-(4-chlorobenzhydryl)piperazine With tetrabutylammomium bromide; potassium carbonate In water at 25℃; Stage #2: 2-(2-Chloroethoxy)ethanol In water at 80℃; for 5h; Stage #3: With hydrogenchloride

: 854601-80-2
1-bromo-2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethane

: 2192-20-3
hydroxyzine dihydrochloride

: 854601-76-6
mPEG5-hydroxyzine

Conditions

Conditions	Yield
Stage #1: hydroxyzine dihydrochloride With sodium hydride In N,N-dimethyl-formamide for 0.333333h; Stage #2: 1-bromo-2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethane In N,N-dimethyl-formamide at 20℃;	90%

jones reagent: jones reagent

: 2192-20-3
hydroxyzine dihydrochloride

: 7440-44-0
pyrographite

: 83881-51-0
cetirizine

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sulfuric acid In water; isopropyl alcohol; acetone	60%

...Expand

: 2192-20-3
hydroxyzine dihydrochloride

: 446-52-6
2-Fluorobenzaldehyde

: 2-(2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethoxy)benzaldehyde

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium hydroxide In water; toluene at 90℃; Inert atmosphere;	57%

: 2192-20-3
hydroxyzine dihydrochloride

: 76-05-1
trifluoroacetic acid

: 2-[2-(2-tert-butoxycarbonylaminoethoxy)ethoxy]ethyl bromide

: tert-butyl (14-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-3,6,9,12-tetraoxatetradecyl)carbamate trifluoroacetate

Conditions

Conditions	Yield
Stage #1: hydroxyzine dihydrochloride With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.666667h; Stage #2: 2-[2-(2-tert-butoxycarbonylaminoethoxy)ethoxy]ethyl bromide In N,N-dimethyl-formamide; mineral oil Stage #3: trifluoroacetic acid In water; acetonitrile	55%

...Expand

: 136918-14-4
phthalimide

: 2192-20-3
hydroxyzine dihydrochloride

: 76-05-1
trifluoroacetic acid

: 2-(2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethyl)isoindoline-1,3-dione trifluoroacetate

Conditions

Conditions	Yield
Stage #1: hydroxyzine dihydrochloride With triethylamine In tetrahydrofuran at 20℃; for 0.25h; Stage #2: phthalimide With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 4h; Stage #3: trifluoroacetic acid In water; acetonitrile

...Expand

: 2192-20-3
hydroxyzine dihydrochloride

: 76-05-1
trifluoroacetic acid

: 2-[2-(2-tert-butoxycarbonylaminoethoxy)ethoxy]ethyl bromide

: tert-butyl (14-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-3,6,9,12-tetraoxatetradecyl)carbamate trifluoroacetate

Conditions

Conditions	Yield
Stage #1: hydroxyzine dihydrochloride With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-[2-(2-tert-butoxycarbonylaminoethoxy)ethoxy]ethyl bromide In N,N-dimethyl-formamide; mineral oil Stage #3: trifluoroacetic acid In water; acetonitrile

...Expand

: 136918-14-4
phthalimide

: 2192-20-3
hydroxyzine dihydrochloride

: 76-05-1
trifluoroacetic acid

: 2-(2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethyl)isoindoline-1,3-dione trifluoroacetate

Conditions

Conditions	Yield
Stage #1: hydroxyzine dihydrochloride With triethylamine In tetrahydrofuran at 20℃; for 0.25h; Mitsunobu Displacement; Stage #2: phthalimide With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 4h; Mitsunobu Displacement; Stage #3: trifluoroacetic acid In water; acetonitrile

...Expand

: 2192-20-3
hydroxyzine dihydrochloride

: 446-52-6
2-Fluorobenzaldehyde

: 2-(2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethoxy)benzaldehyde-α-d1

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrabutylammomium bromide; potassium hydroxide / toluene; water / 90 °C / Inert atmosphere 2: water-d2; potassium acetate; BF4(1-)*C20H14F6N3O(1+) / dichloromethane / 12 h / 60 °C View Scheme

Raw Materials

628-89-7

303-26-4

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Hydroxyzine dihydrochloride is an organic compound with the formula C₂₁H₂₇ClN₂O₂^.2(HCl). The IUPAC name of this chemical is 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol dihydrochloride. With the CAS registry number 2192-20-3, it is also named as 2-(2-(4-(p-Chloro-α-phenylbenzyl)-1-piperazinyl)ethoxy)ethanol dihydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; InhibitorsMulti-Drug Resistance and Drug Metabolism; Cell Signaling Enzymes; Drug and Xenobiotic Metabolism; Substrates, Inducers, Inhibitors; Xenobiotics and Drug Metabolism. Besides, it is a white solid, which should be stored in a colsed place. It is H1 receptor antagonist. It is also used as anxiolytic and antihistaminic.

Physical properties about Hydroxyzine dihydrochloride are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 1.17; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 2.84; (5)ACD/BCF (pH 7.4): 18.99; (6)ACD/KOC (pH 5.5): 41.95; (7)ACD/KOC (pH 7.4): 280.22; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 24.94 Å²; (12)Flash Point: 255.7 °C; (13)Enthalpy of Vaporization: 80.82 kJ/mol; (14)Boiling Point: 499.2 °C at 760 mmHg; (15)Vapour Pressure: 8.78E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-[2-(2-hydroxyethoxy) ethyl piperazine and chloro diphenyl methyl chloride.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO
(2)InChI: InChI=1/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H
(3)InChIKey: ANOMHKZSQFYSBR-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H
(5)Std. InChIKey: ANOMHKZSQFYSBR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	unreported	750ug/kg (0.75mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Annals of Pharmacotherpy. Vol. 31, Pg. 327, 1997.
man	TDLo	oral	357ug/kg (0.357mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Human Psychopharmacology. Vol. 7, Pg. 25, 1992.
mouse	LD50	intraperitoneal	122mg/kg (122mg/kg)		Yakkyoku. Pharmacy. Vol. 24, Pg. 100, 1973.
mouse	LD50	intravenous	48900ug/kg (48.9mg/kg)		Yakkyoku. Pharmacy. Vol. 24, Pg. 100, 1973.
rat	LD50	intraperitoneal	126mg/kg (126mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat	LD50	intravenous	45mg/kg (45mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 109, Pg. 127, 1957.
rat	LD50	oral	950mg/kg (950mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
women	TDLo	oral	500ug/kg (0.5mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Human Psychopharmacology. Vol. 7, Pg. 25, 1992.