(±)-Hydroxyzine

C₂₁H₂₇ClN₂O₂CAS 68-88-2374.91 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₇ClN₂O₂
Molar mass: 374.91 g/mol
Exact mass: 374.1761 Da
Melting point: 190 °C
Boiling point: 250 °C (at 0.1 Torr)
logP: 3.06Crippen estimate
Polar surface area: 35.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P304+P340, P318, P319, P330, P342+P316, P403, P403+P233, P405, P501

Identifiers

CAS number

68-88-2

SMILES

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

InChIKey

ZQDWXGKKHFNSQK-UHFFFAOYSA-N

InChI

InChI=1S/C21H27ClN2O2/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

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Names and synonyms

18 names · show all

Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-(p-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-(4-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-
2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]ethanol
U.C.B 4492
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]diethylenediamine
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chlorodiphenylmethyl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chloro-α-phenylbenzyl)-4-[2-((2-hydroxyethoxy)ethyl)]piperazine
2-[2-[4-(p-Chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol
Hydroxyzine
Tran-Q
Hydroxizine
Hydroxyzin
Hydroxyzyne
Tranquizine
NSC 169188
2-(2-[4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl]ethoxy)ethan-1-ol

Work with (±)-Hydroxyzine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hydroxyzine hydrochloride2192-20-3Salt Hydroxyzine pamoate10246-75-0Salt

Similar compounds

2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-983 % similar Hydroxydiethylphenamine13073-96-677 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-576 % similar (-)-Cetirizine130018-77-867 % similar Cetirizine83881-51-067 % similar Levocetirizine dihydrochloride130018-87-063 % similar Cetirizine hydrochloride83881-52-163 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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