Hydroxyzine hydrochloride

C₂₁H₂₉Cl₃N₂O₂CAS 2192-20-3447.83 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₉Cl₃N₂O₂
Molar mass: 447.83 g/mol
Exact mass: 446.1295 Da
Melting point: 193 °C
logP: 3.90Crippen estimate
Polar surface area: 35.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage11.9% of notifiers
H315 Causes skin irritation59.7% of notifiers
H317 May cause an allergic skin reaction23.9% of notifiers
H319 Causes serious eye irritation59.7% of notifiers
H335 May cause respiratory irritation61.2% of notifiers
H360 May damage fertility or the unborn child23.9% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

2192-20-3

SMILES

Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

InChIKey

ANOMHKZSQFYSBR-UHFFFAOYSA-N

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

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Names and synonyms

22 names · show all

Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
Ethanol, 2-[2-[4-(p-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-, dihydrochloride
Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride
Atarax dihydrochloride
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]diethylenediamine dihydrochloride
2-[2-[4-(p-Chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol dihydrochloride
Hydroxyzine dihydrochloride
Vistaril steraject
Atarax
Neurolax
Durrax
Quiess
Hydroxyzyne hydrochloride
Alamon
Orgatrax
Vistaril parenteral
QYS
Aterax
Atranine A
Atarax P Parenteral soln.
Hydroxizine chloride
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride

Work with Hydroxyzine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Hydroxyzine68-88-293 % similar Hydroxydiethylphenamine13073-96-684 % similar 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-977 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-571 % similar Levocetirizine dihydrochloride130018-87-069 % similar Cetirizine hydrochloride83881-52-169 % similar (-)-Cetirizine130018-77-863 % similar Cetirizine83881-51-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook