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Hydroxyzine Hydrochloride
CAS: 2192-20-3 | C21H29Cl3N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2192-20-3
Molecular Formula:
C21H29Cl3N2O2
Molecular Mass:
447.83 g/mol
Names and Synonyms:
Hydroxyzine Hydrochloride
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
Hydroxyzine hydrochloride
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
Identifiers:
SMILES:
Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
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
Key Properties
Melting Point
193 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 447.83 g/mol | CAS Common Chemistry |
| 447.8340000000002 g/mol | RDKit | |
| 446.129461208 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC1=CC=C(C=C1)C(C=2C=CC=CC2)N3CCN(CCOCCO)CC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ANOMHKZSQFYSBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193 °C | CAS Common Chemistry |
| Name | Hydroxyzine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.940000000000005 Ų | RDKit |
| LogP | 3.8995000000000033 | RDKit |
| Molar Refractivity | 120.15080000000003 | RDKit |
