基本情報
- 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
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
名称をさらに表示
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
- 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
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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
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
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Hydroxyzine hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
法規制情報
Regulatory Information
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.
化学と産業
薬理情報
FDA Pharmacological Classification
HYDROXYZINE HCL
Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]
HYDROXYZINE HYDROCHLORIDE
Histamine Receptor Antagonists [MoA]; Antihistamine [EPC]
MeSH Pharmacological Classification
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
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