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クエン酸ジフェンヒドラミン

Diphenhydramine Citrate

HCID 174697
ノート反応
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
部分構造検索類似構造を探す

基本情報

CAS
88637-37-0
標準SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
SPCKHVPPRJWQRZ-UHFFFAOYSA-N
分子式
C23H29NO8
平均分子量
447.5 g/mol
単同位体質量
447.18931688

概要

See also: Diphenhydramine (has active moiety); Diphenhydramine Hydrochloride (related); Diphenhydramine Citrate; Ibuprofen (component of) ... View More ...

名称と識別子

優先名称
Diphenhydramine Citrate
IUPAC
2-benzhydryloxy-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
現地名
クエン酸ジフェンヒドラミン
英語名
Diphenhydramine citrate
分子式
C23H29NO8
分子量
447.48

名称と別名

Diphenhydramine citrate88637-37-0Diphenhydramine citrate [USP]4OD433S209Diphenhydramine citrate (USP)2-(Diphenylmethoxy)-N,N-dimethylethylamine citrate (1:1)DTXSID80237211(2-(Diphenylmethoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylateRefChem:588810DTXCID80159702289-432-02-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
名称をさらに表示
クエン酸ジフェンヒドラミン2-(ジフェニルメトキシ)-N,N-ジメチルエタンアミン·2-ヒドロキシ-1,2,3-プロパントリカルボン酸2-(ジフェニルメトキシ)-N,N-ジメチルエタンアミン・2-ヒドロキシ-1,2,3-プロパントリカルボン酸Benzhydramine citrateDiphenhydramine Impurity 18Diphenhydramine Citrate (200 mg)Diphenhydramine citrate USP/EP/BPDiphenhydramine Citrate (1217909)Diphenhydramine Citrate (125 mg)2-benzhydryloxy-N,N-dimethylethanamine,2-hydroxypropane-1,2,3-tricarboxylic acid[2-(diphenylmethoxy)ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

物性

構造計算による物性

極性表面積
145 Ų
水素結合供与体数
4
水素結合受容体数
9
回転可能結合数
11
重原子数
32
形式電荷
0
複雑度
439

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

物理化学的性質

融点
148 · 148-150°C
貯蔵温度
Room Temperature
溶解性
DMSO、メタノール
外見
個体
色
白い
主な用途
医薬品
InChIKey
SPCKHVPPRJWQRZ-UHFFFAOYSA-N
SMILES
N(CCOC(c2ccccc2)c1ccccc1)(C)C.OC(CC(=O)O)(CC(=O)O)C(=O)O

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]

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 27 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk
3
hs_code
2922190900
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 6 件

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

Drugs used to prevent NAUSEA or VOMITING.

Drugs used to induce SLEEP, prevent SLEEPLESSNESS, or treat SLEEP INITIATION AND MAINTENANCE DISORDERS.

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.

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

応用分野

使用Antihistaminic.

サプライヤー55 社

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関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容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
Diphenhydramine (citrate)2-benzhydryloxy-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acidEthanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)UNII-4OD433S209C23H29NO8Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); Diphenhydramine citrateEINECS 289-432-0orb134887

データベース識別子

CAS
88637-37-0
PubChem CID
174697
DTXSID
DTXSID80237211
ChEMBL
CHEMBL1201089
UNII
4OD433S209
EC Number
289-432-0
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