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Hydroxyzine Hydrochloride

HCID 91513
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
163837-37-4
標準SMILES
Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
ANOMHKZSQFYSBR-UHFFFAOYSA-N
分子式
C21H29Cl3N2O2
平均分子量
447.8 g/mol
単同位体質量
446.129461

概要

Hydroxyzine Hydrochloride is the hydrochloride salt form of hydroxyzine, a piperazine histamine H1-receptor antagonist with anti-allergic, antispasmodic, sedative, anti-emetic and anti-anxiety properties. Hydroxyzine hydrochloride blocks the H1 histamine receptor and prevents the symptoms that are caused by histamine activity on capillaries, bronchial smooth muscle, and gastrointestinal smooth muscle, including vasodilatation, increased capillary permeability, bronchoconstriction, and spasmodic contraction of gastrointestinal smooth muscle. In addition, hydroxyzine hydrochloride crosses the blood-brain barrier and acts on the histamine H1-receptors in the central nervous system. (NCI05)

名称と識別子

優先名称
Hydroxyzine Hydrochloride
IUPAC
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
英語名
hydroxyzine hydrochloride
分子式
C21H28Cl2N2O2
分子量
411.37

名称と別名

Hydroxyzine dihydrochloride2192-20-3Hydroxyzine hydrochlorideOrgatraxAtranine AHydroxyzine HclAtarax dihydrochlorideAnxanilUceraxHYDROXIZINE CHLORIDEHyzine-50DTXSID2040737
名称をさらに表示
Hydroxyzine Impurity 11 Dihydrochloride ((-)-Hydroxyzine Dihydrochloride)
76755771U32-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)ethanol dihydrochlorideEthanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-, dihydrochlorideCHEBI:5819DTXCID30275301-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)diethylenediamine hydrochlorideRefChem:789578DTXCID0020737

データベース識別子

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

物性

構造計算による物性補完中

極性表面積
35.9 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
8
重原子数
28
形式電荷
0
複雑度
376

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

危険有害性情報

Regulatory Information · 2 件

REACH registered substance: Hydroxyzine dihydrochloride (EC: 218-586-3)

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 InformationIMAP assessments - Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Hydroxyzine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

化学と産業

薬理情報

FDA Pharmacological Classification · 4 件

HYDROXYZINE HCL

Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]

HYDROXYZINE HYDROCHLORIDE

Histamine Receptor Antagonists [MoA]; Antihistamine [EPC]

MeSH Pharmacological Classification · 2 件

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.

用途と製造

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

関連反応

1 件
反応記録を作成
HRID 1003750 の反応式
HRID 1003750反応物としてuspto-grants-2000_04

化合物ノート

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