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Hydroxyzine dihydrochloride
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Name

Hydroxyzine dihydrochloride

 EINECS 218-586-3
CAS No. 2192-20-3 Density 1.182 g/cm3
PSA 35.94000 LogP 4.53570
Solubility soluble in water Melting Point 190-192 °C
Formula C21H27ClN2O2.2(HCl) Boiling Point 499.2 °C at 760 mmHg
Molecular Weight 447.832 Flash Point 255.7 °C
Transport Information N/A Appearance white solid
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 2192-20-3 (Hydroxyzine dihydrochloride) Hazard Symbols HarmfulXn
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;

Article Data 1

Hydroxyzine dihydrochloride Synthetic route

303-26-4

N-(4-chlorobenzhydryl)piperazine

628-89-7

2-(2-Chloroethoxy)ethanol

2192-20-3

hydroxyzine dihydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogenchloride; sodium hydroxide; sulfuric acid In water; isopropyl alcohol; acetone60%
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
ConditionsYield
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
ConditionsYield
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%
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
ConditionsYield
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
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
ConditionsYield
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
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
ConditionsYield
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
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
ConditionsYield
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

Hydroxyzine dihydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

Hydroxyzine dihydrochloride 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.

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