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| CAS No.: | 2192-20-3 |
|---|---|
| Name: | Hydroxyzine dihydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| 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 |
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- 303-26-4
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- 628-89-7
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- 2192-20-3
hydroxyzine dihydrochloride
| 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 | 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% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hydroxide; sulfuric acid In water; isopropyl alcohol; acetone | 60% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; potassium hydroxide In water; toluene at 90℃; Inert atmosphere; | 57% |
| 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% |
| 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 |
| 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 |
| 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 |
| 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 |
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Consensus Reports
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. |