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ダリフェナシン臭化水素酸塩

Darifenacin Hydrobromide

HCID 444030
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
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基本情報

CAS
133099-07-7
標準SMILES
Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N
分子式
C28H31BrN2O2
平均分子量
507.5 g/mol
単同位体質量
506.15689

概要

Darifenacin hydrobromide is the hydrobromide salt of darifenacin. A selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, it is used in the management of urinary incontinence. It has a role as a muscarinic antagonist. It contains a darifenacin.

名称と識別子

優先名称
Darifenacin Hydrobromide
IUPAC
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide
現地名
ダリフェナシン臭化水素酸塩
英語名
Darifenacin hydrobromide
分子式
C28H31BrN2O2
分子量
507.47

名称と別名

Darifenacin hydrobromide133099-07-7darifenacin HBrUK 88525-04 hydrobromideDTXSID9046780CR02EYQ8GVUK-88525-04 (HYDROBROMIDE)Uk-88525-04 (hbr)DTXCID7026780CHEBI:31455(S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide(S)-2-(1-(2-(2,3-DIHYDROBENZOFURAN-5-YL)ETHYL)-3-PYRROLIDNYL)-2,2-DIPHENYLACETAMIDE HYDROBROMIDE
名称をさらに表示
ダリフェナシン臭化水素酸塩ダリフェナシン臭化水素酸塩 (JAN)臭化水素酸ダリフェナシンEmseleUK 88525-04Darifenacin HClDarifenacin hydrobroDARFENACIN HYDROBROMIDEDarifenacin Hydrobromid
(S)-2-{1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromideDarifenacin 15 mgDarifenacin 7.5 mgRefChem:57151EnablexEmselexMFCD08141803Darifenacin hydrobromide [USAN]

データベース識別子

物性

構造計算による物性

極性表面積
55.6 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
7
重原子数
33
形式電荷
0
複雑度
607

実験および物理化学的性質

Human Drugs · 3 件

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

物理化学的性質

融点
228 · 228-2300C
比旋光度
25 D · 25D -30.3° (c = 1.0 in methylene chloride)
貯蔵温度
-20 °C · -20°C
溶解性
20 mg/mL、透明 · DMSO:可溶20mg/mL、透明
外見
粉
色
白からベージュ
InChIKey
UQAVIASOPREUIT-YEZAQYPZNA-N
SMILES
C(C1C=CC=CC=1)(C1C=CC=CC=1)([C@@H]1CCN(CCC2=CC=C3OCCC3=C2)C1)C(=O)N.Br |&1:13,r|
CAS データベース
133099 · 133099-07-7(CAS DataBase Reference)

化学的性質

化学的特性White Solid

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

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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 CategoriesSkin Irrit. 2 (95.1%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Darifenacin hydrobromide

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk
3
hs_code
2934990002
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

DARIFENACIN HYDROBROMIDE

Cholinergic Muscarinic Antagonist [EPC]; Cholinergic Muscarinic Antagonists [MoA]

MeSH Pharmacological Classification · 2 件

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

応用分野 · 3 件

説明Darifenacin, an orally active, once a day selective M3 receptor antagonist, was launched for the treatment of overactive bladder in patients with symptoms of urge urinary incontinence, urgency and frequency. The drug selectively inhibits M3 receptor in the detrusor muscle while sparing the M1 and M2 receptors that are believed to be involved in central nervous system and cardiovascular function respectively. The compound was originally developed by Pfizer and licensed to Novartis and Bayer.

使用Darifenacin hydrobromide is used as a medication to treat urinary incontinence. It works by blocking the M3 muscarinic acetylcholine receptor.

一般的な説明Darfenacin (Enablex),(s)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphen-ylacetamide, is an antimuscarinicagent that has selectivity for the M3 muscarinicsubtype receptor. By competitively blocking of the muscarinicreceptors results in a reduction of the smoothmuscle tone, allowing for greater volume of urine to bestored in the bladder. This results in less urinary incontinence,urgency, and frequency. It is a white to almostwhite, crystalline powder, with a molecular weight of507.5. Darifenacin is metabolized by the isozymesCYP2D6 and CYP3A4 with the primary metabolic routesbeing monohydroxylation of the dihydrobenzofuran ring,opening of the dihydrobenzofuran ring, and N-dealkylationof the pyrrolidine nitrogen.

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
CAS
133099-07-7
PubChem CID
444030
DTXSID
DTXSID9046780
ChEMBL
CHEMBL1200935
ChEBI
CHEBI:31455
UNII
CR02EYQ8GV
EC Number
603-705-7

上流・下流製品情報

上流原料

ダリフェナシン5-(2-chloroethyl)-2,3-dihydrobenzofuran5-(2-ブロモエチル)-2,3-ジヒドロベンゾフランDarifenacin Oxidized IMpurity3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidinetert-ブタノール臭化水素酸

下流製品

ダリフェナシン

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補足説明

定義ChEBI: The hydrobromide salt of darifenacin. A selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, it is used in the management of urinary incontinence.