Hydroxyzine Hydrochloride

HCID 91513

Basic information

CAS
163837-37-4
Standard SMILES
Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
ANOMHKZSQFYSBR-UHFFFAOYSA-N
Molecular formula
C21H29Cl3N2O2
Average molar mass
447.8 g/mol
Monoisotopic mass
446.129461

Names & identifiers

Preferred name
Hydroxyzine Hydrochloride
IUPAC
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
English name
hydroxyzine hydrochloride
Molecular formula
C21H28Cl2N2O2
Molecular weight
411.37

Names & synonyms

Hydroxyzine dihydrochloride2192-20-3Hydroxyzine hydrochlorideOrgatraxHydroxyzine HclAtranine AAtarax dihydrochlorideHYDROXIZINE CHLORIDEDTXSID204073776755771U32-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)ethanol dihydrochlorideEthanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-, dihydrochloride
Show more names
Hydroxyzine Impurity 11 Dihydrochloride ((-)-Hydroxyzine Dihydrochloride)
CHEBI:5819DTXCID3027530AnxanilUceraxHyzine-501-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)diethylenediamine hydrochlorideRefChem:789578DTXCID0020737

Database identifiers

CAS
163837-37-4、163837-38-5、2192-20-3
PubChem CID
91513
DTXSID
DTXSID2040737
ChEMBL
CHEMBL3186993
UNII
76755771U3
EC Number
218-586-3

Properties

Computed structural properties

Topological polar surface area
35.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
28

Physicochemical properties

FDA UNII
5 AQ4KXB9U4 · 5AQ4KXB9U4

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (11.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (59.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (23.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (59.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (61.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H360 (23.9%): May damage fertility or the unborn child [Danger Reproductive toxicity]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33066

Ethanol, 2-2-4-(4-chlorophenyl)phenylmethyl-1-piperazinylethoxy-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information · 1 item

IMAP assessments - Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride: Environment tier I assessment;IMAP assessments - Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (100%);Skin Corr. 1A (11.9%);Skin Irrit. 2 (59.7%);Skin Sens. 1 (23.9%);Eye Irrit. 2 (59.7%);STOT SE 3 (61.2%);Repr. 1B (23.9%)

Toxicology

Drug Induced Liver Injury · 6 items

Drug Induced Liver Injury Rank (DILIrank 2.0)

Hydroxyzine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33066

Ethanol, 2-2-4-(4-chlorophenyl)phenylmethyl-1-piperazinylethoxy-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Chemistry & industry

Pharmacology

FDA Pharmacological Classification · 4 items

HYDROXYZINE HCL

Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]

HYDROXYZINE HYDROCHLORIDE

Histamine Receptor Antagonists [MoA]; Antihistamine [EPC]

MeSH Pharmacological Classification · 2 items

Agents, usually topical, that relieve itching (pruritus).

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2): ACTIVE

Suppliers2 total

广州千行进出口有限公司020-37651955 13682223272 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]

Related reactions

1 records

Compound notes

Loading…