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Basic information

  • Name:
  • Ethanol,2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride(1:2)

  • Superlist Name:
  • Hydroxyzine dihydrochloride
  • CAS No.:
  • 2192-20-3

  • Molecular Structure:
  • Formula:
  • C21H27ClN2O2.2(HCl)
  • Molecular Weight:
  • 447.87
  • 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
  • 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:
  • HarmfulXn
  • Risk Codes:
  • 22-36/37/38
  • Safety Description:
  • 26 Details

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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.

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