Betaxolol Hydrochloride

HCID 107952CAS 63659-19-8

基本情報

標準SMILES: CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl
InChIKey: CHDPSNLJFOQTRK-UHFFFAOYSA-N
分子式: C18H30ClNO3
平均分子量: 343.9 g/mol
単同位体質量: 343.1914215

概要

Betaxolol Hydrochloride is the hydrochloride salt form of betaxolol, a beta-1-selective adrenergic receptor antagonist without intrinsic sympathomimetic activity. Betaxolol hydrochloride acts on the heart and circulatory system and decreases cardiac contractility and rate, thereby reducing cardiac output. When applied topically in the eye, it lowers intraocular pressure by reducing aqueous humor secretion.

名称と識別子

優先名称: Betaxolol Hydrochloride
IUPAC: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

名称と別名

Betaxolol hydrochloride63659-19-8Betaxolol HCLBetoptic SNSC-7600486X97D2XT0OALO-140102ALO-1401-02SL-7521210DTXSID30979876SL-75.212-101-(Isopropylamino)-3-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)propan-2-ol hydrochloride

名称をさらに表示

SL-75212-10CHEBI:6432281-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol hydrochloride1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochlorideHydrochloride, BetaxololRefChem:56624DTXCID401407156ALO140102

データベース識別子

CAS: 63659-19-8、72424-72-7
PubChem CID: 107952
DTXSID: DTXSID30979876
ChEMBL: CHEMBL1691
UNII: 6X97D2XT0O
EC Number: 264-384-3

物性

構造計算による物性

極性表面積: 50.7 Å²
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: 11
重原子数: 23
形式電荷: 0
複雑度: 286

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 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 (98%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Betaxolol hydrochloride

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

BETAXOLOL HYDROCHLORIDE

Adrenergic beta-Antagonists [MoA]; beta-Adrenergic Blocker [EPC]

MeSH Pharmacological Classification · 3 件

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.