基本情報
- CAS
60-25-3- 標準SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Cl-].[Cl-]- InChIKey
PYIHTIJNCRKDBV-UHFFFAOYSA-L- 分子式
- C12H30Cl2N2
- 平均分子量
- 273.28 g/mol
- 単同位体質量
- 272.1786044
概要
See also: Hexamethonium (has active moiety); Hexamethonium Bromide (related); Hexamethonium Iodide (related).
名称と識別子
- 優先名称
- Hexamethonium Chloride
- IUPAC
- trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dichloride
- 現地名
- ヘキサメトニウムクロリド二水和物
- 英語名
- HEXAMETHONIUM CHLORIDE
- 分子式
- C12H30Cl2N2
- 分子量
- 273.29
名称と別名
Hexamethonium chloride60-25-3Hexamethonium dichlorideHestrium chlorideDTXSID3044700TIV4Q933FUHexamethylene(bistrimethylammonium)chlorideN,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dichlorideDTXCID1024700NSC-216431,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2)NSC21643
名称をさらに表示
ヘキサメトニウムクロリド二水和物N,N,N,N',N',N'-ヘキサメチル-1,6-ヘキサンジアミニウム·ジクロリドヘキサメトニウムジクロリドヘキサメチレンビス(トリメチルアミニウム)·ジクロリドN,N,N,N',N',N'-ヘキサメチル-1,6-ヘキサンジアミニウム·2クロリド塩化ヘキサメトニウムヘキサメトニウムクロリド塩化ヘキサメトニウム DIHYDRATE塩化ヘキサメトニウム二水和物(1R,3E,7E,10E,14S)-3,7,11,15,15-ペンタメチルビシクロ[12.1.0]ペンタデカン-2,6,10-トリエン-4-オン(1R,2E,6E,10E,14S)-3,7,11,15,15-ペンタメチルビシクロ[12.1.0]ペンタデカ-2,6,10-トリエン-4-オンhexonchloridehiohexchloridehexonechlorideesomidchloridemethiumchloridebistriumchloride
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 7
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 121
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 融点
- 292 °C · 292°C(dec.)(lit.)
- 沸点
- 423.36 °C · 423.36°C (rough estimate)
- 比重(密度)
- 1.0558 · 1.0558 (rough estimate)
- 屈折率
- 1.64 · 1.6400 (estimate)
- 溶解性
- 2 O: · H2O: 可溶
- 外見
- 固体 (吸湿性)
- 色
- 白い
- 水溶解度
- ほとんど透明
- BRN
- 3714806 · 3714806
- InChI
- 1S/C12H30N2.2ClH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
- InChIKey
- PYIHTIJNCRKDBV-UHFFFAOYSA-L
- SMILES
- [Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C
- CAS データベース
- 60 · 60-25-3
- EPAの化学物質情報
- 1 · 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dichloride (60-25-3)
化学的性質
White, crystalline, hygroscopic powder; faint odor. Very soluble in water; soluble in alcohol, methanol, and n-propanol; insoluble in chloroform and ether. Available commercially as unhydrated form or as dihydrate.
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
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Hexamethonium chloride (EC: 200-465-1)
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ8650000
- hs_code
- 2923.90.0100
- 化審法
- (2)-180
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery.
Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, chloride (1:2): ACTIVE
応用分野
用途生理作用研究用。
使用Hexamethonium Chloride is a ganglionic nicotinic receptor blocker.
一般的な説明Nicotinic acetylcholine receptor (nAChR) forms a ligand-gated ion channel made up of four different subunits. Each subunit contains an extracellular amino-terminal domain (hydrophilic) and carboxylic terminal domain and four transmembrane domains. nAChR is an allosteric and transmembrane protein localized to the neuromuscular junction.
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