基本情報
- CAS
104344-23-2- 標準SMILES
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O- InChIKey
VMDFASMUILANOL-WXXKFALUSA-N- 分子式
- C40H66N2O12
- 平均分子量
- 767 g/mol
- 単同位体質量
- 766.46157554
概要
Bisoprolol Fumarate is the fumarate salt of a synthetic phenoxy-2-propanol-derived cardioselective beta-1 adrenergic receptor antagonist with antihypertensive and potential cardioprotective activities. Devoid of intrinsic sympathomimetic activity, bisoprolol selectively and competitively binds to and blocks beta-1 adrenergic receptors in the heart, decreasing cardiac contractility and rate, reducing cardiac output, and lowering blood pressure. In addition, this agent may exhibit antihypertensive activity through the inhibition of renin secretion by juxtaglomerular epithelioid (JGE) cells in the kidney, thus inhibiting activation of the renin-angiotensin system (RAS). Bisoprolol has been shown to be cardioprotective in animal models.
名称と識別子
- 優先名称
- Bisoprolol Fumarate
- IUPAC
- (E)-but-2-enedioic acid;bis(1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol)
- 現地名
- ビソプロロール·0.5フマル酸
- 英語名
- Bisoprolol fumarate
- 分子式
- C22H35NO8
- 分子量
- 441.52
名称と別名
Bisoprolol fumarate104344-23-2Bisoprolol hemifumarateZebetaDetensielIsotenEuradalMonocorSoprolEmcorConcorEmconcor
名称をさらに表示
ルークメインテートメインロールセーフリーメインハーツビソプロロールヘミフマラートビソプロロールフマル酸塩メインリースフマル酸ビソプロロールプラマテートメイタットウェルビービソテートビソプロロール·0.5フマル酸アゾプシンメイントーワビソプロロールヘミフマル酸塩ヘミフマル酸ビソプロロールビソプロロールフマル酸塩 (JP17)ビソプロロール・0.5フマル酸CB8371980Bisoprolol for system suitability CRS1-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol hemifumarate salt
SperidolDTXSID1045794UR59KN573LCL 297,939EMD-33-512DTXCID9025794EMD-33512Cardicor
物性
構造計算による物性
- 極性表面積
- 195 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 14
- 回転可能結合数
- 26
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 397
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic Beta-Antagonists; Antiarrhythmics
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 100 °C · 100°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 20 mg/mL · DMSO：>20mg/mL
- 外見
- 個体
- 色
- 白い
- Merck
- 14 · 14,1295
- InChIKey
- RZPZLFIUFMNCLY-WLHGVMLRSA-N
- SMILES
- C1(OCC(O)CNC(C)C)C=CC(COCCOC(C)C)=CC=1.C(/C(=O)O)=C\C(=O)O
- CAS データベース
- 104344 · 104344-23-2(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Bisoprolol fumarate
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- rtecs
- UB8390000
- 毒性
- dog,LDLo,oral,40mg/kg (40mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYELUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 2321, 1989.
- hs_code
- 2922190900
- risk_code
- 22
- hazard_code
- Xn,Xi
- hazard_class
- IRRITANT
化学と産業
薬理情報
FDA Pharmacological Classification
BISOPROLOL FUMARATE
Adrenergic beta-Antagonists [MoA]; beta-Adrenergic Blocker [EPC]
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Drugs that bind to and block the activation of ADRENERGIC BETA-1 RECEPTORS.
応用分野
説明Bisoprolol fumarate is a β1-selective adrenergic blocker useful in the treatment of essential hypertension.
使用A selective a-adrenergic blocker. Used as an antihypertensive
上流・下流製品情報
上流原料
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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