基本情報
- CAS
55-97-0- 標準SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]- InChIKey
FAPSXSAPXXJTOU-UHFFFAOYSA-L- 分子式
- C12H30Br2N2
- 平均分子量
- 362.19 g/mol
- 単同位体質量
- 360.07757
概要
See also: Hexamethonium (has active moiety); Hexamethonium Chloride (related); Hexamethonium Iodide (related).
名称と識別子
- 優先名称
- Hexamethonium Bromide
- IUPAC
- trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
- 現地名
- ヘキサメトニウム ブロミド
- 英語名
- HEXAMETHONIUM BROMIDE
- 分子式
- C12H30Br2N2
- 分子量
- 362.19
名称と別名
HEXAMETHONIUM BROMIDE55-97-0Bistrium bromideBromuro de hexametonioBromure d'hexamethoniumEsametonio bromuroHexamethonii bromidum1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromideHEXAMETHONE BROMIDE8J77X3S603NSC-163965alpha, omega-Bis(trimethyl ammonium)hexane dibromide
名称をさらに表示
ヘキサメトニウム ブロミドメトブロームヘキサメトニウムジブロミドヘキサメチレンビス(トリメチルアミニウム)·ジブロミドガングリオスタット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ブロミドヘキソニウムジブロミドメトブロミンヘキサメトニウムブロミドN,N,N,N',N',N'-ヘキサメチル-1,6-ヘキサンジアミニウム·ジブロミド臭化ヘキサメトニウムヘキサメチレンビス(トリメチルアンモニウムブロミド)ヘキサン-1,6-ビス(トリメチルアンモニウムブロミド)臭化ヘキサメトニウム水和物臭化ヘキサメトニウム (JAN)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ブロミドN,N,N,N′,N′,N′-ヘキサメチルヘキサン-1,6-ジアミニウム・2ブロミドN,N,N,N′,N′,N′-ヘキサメチル-1,6-ヘキサンジアミニウム・ジブロミドヘキサメチレンビス(トリメチルアミニウム)・ジブロミドHEXAMETHONIUM DIBROMIDEN1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium bromidehexametonvegolysenvegolysinesametinagangliostatMethobrominesimpatoblockhexoniumdibromide
DTXSID50883229NSC163965Bromide, HexamethoniumhexamAthonium (cation)RefChem:786199DTXCID801022778benzohexonium (for the benzosulfonate)200-249-7
データベース識別子
- CAS
55-97-0- PubChem CID
- 5938
- DTXSID
DTXSID50883229- ChEMBL
CHEMBL332524- UNII
- 8J77X3S603
- EC Number
- 200-249-7
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
- 285 °C · ~285 °C (dec.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 水（少々）
- 外見
- 結晶性粉末および凝集体
- 色
- 白い
- PH
- pH (20g/l, 25℃) : 4.5～6.5
- 水溶解度
- 2 O: · H2O: 100mg/mL
- Merck
- 14 · 14,4688
- BRN
- 3715749 · 3715749
- InChI
- InChI=1S/C12H30N2.2BrH/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
- FAPSXSAPXXJTOU-UHFFFAOYSA-L
- SMILES
- C(CCCCC[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
- CAS データベース
- 55 · 55-97-0(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2) (55-97-0)
化学的性質
化学的特性White crystalline powder and agglomerates
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 88.9% (8 of 9) of all reports.
Danger
H370 (11.1%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P321, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 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-, bromide (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-, bromide (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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Hexamethonium bromide (EC: 200-249-7)
Hazard Classes and CategoriesSTOT SE 1 (11.1%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BQ8575000
- hs_code
- 29239000
- 化審法
- (9)-1322
- safety_code
- 22-24/25
- 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: 250,000 - <550,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2): ACTIVE
応用分野
用途神経化学研究用。
説明Hexamethonium is a peripherally-acting nondepolarizing neuromuscular blocking agent that acts as an antagonist of nicotinic acetylcholine receptors (nAChRs). It decreases acetylcholine release induced by carbamoylcholine in isolated cat superior cervical ganglion when used at concentrations of 27.4 and 54.8 μg/ml. It also decreases mean arterial pressure in unanesthetized rats when administered at a dose of 40 mg/kg. Intraventricular administration of hexamethonium (18 ng, i.c.v.) induces signs of nicotine abstinence, including shaking, writhing, and chewing in nicotine-dependent rats. Formulations containing hexamethonium were previously used in the treatment of hypertension.
使用Hexamethonium bromide has been used:as an autonomic ganglia-blocking agent to study its effects on whisker movement in ratsas a nicotinic receptor antagonist to study its effects on antigen-induced arthritis (AIA) progression in miceas a non-selective ganglionic nicotinic acetylcholine receptor (nAChR) antagonist to study its effects on cytisine-induced autonomic cardiovascular responses in mice
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