ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

N,N′-ジ-9H-フルオレン-9-イル-N,N,N′,N′-テトラメチル-1,6-ヘキサンジアミニウム

Hexafluorenium

HCID 3601
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
部分構造検索類似構造を探す

基本情報

CAS
4844-10-4
標準SMILES
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIKey
HDZAQYPYABGTCL-UHFFFAOYSA-N
分子式
C36H42N2+2
平均分子量
502.7 g/mol
単同位体質量
502.33479935

概要

Hexafluronium is a quaternary ammonium salt.

名称と識別子

優先名称
Hexafluorenium
IUPAC
9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium
現地名
N,N′-ジ-9H-フルオレン-9-イル-N,N,N′,N′-テトラメチル-1,6-ヘキサンジアミニウム
英語名
hexafluorenium
分子量
0

名称と別名

hexafluoreniumHexafluroniumHexafluorenium ionHexafluorenium cation4844-10-41,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-55W5L6G81RHexamethylenebis(fluoren-9-yldimethylammonium)DTXSID00859333Ammonium, hexamethylenebis(fluoren-9-yldimethyl-1,6-Hexanediaminium,N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethylRefChem:146000
名称をさらに表示
N-{6-[(9H-フルオレン-9-イル)ジメチルアザニウミル]ヘキシル}-N,N-ジメチル-9H-フルオレン-9-アミニウムN,N′-ジ-9H-フルオレン-9-イル-N,N,N′,N′-テトラメチル-1,6-ヘキサンジアミニウムN,N′-ジ(9H-フルオレン-9-イル)-N,N,N′,N′-テトラメチル-1,6-ヘキサンジアミニウムN,N′-ビス(9H-フルオレン-9-イル)-N,N,N′,N′-テトラメチル-1,6-ヘキサンジアミニウム9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium
DTXCID20197284Ammonium, Hexamethylenebis(fluoren-9-yldimethyl)-N-(6-((9H-fluoren-9-yl)dimethylazaniumyl)hexyl)-N,N-dimethyl-9H-fluoren-9-aminiumN1,N6-di(9H-fluoren-9-yl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminiumHEXAFLURONE BROMIDENCGC00182971-01HEXAFLUORENIUM [VANDF]SCHEMBL487495

物性

構造計算による物性

XLogP
7.6
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
9
重原子数
38
形式電荷
2
複雑度
663

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
Melting PointCrystals from n-propanol; MP: 188-189 °C /Hexafluorenium bromide/

安全と法規制

危険有害性情報

FDA Requirements · 1 件

Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒性情報

Interactions · 2 件

CONSISTENT WITH ITS STABILIZING ACTION, IT POTENTIATES NEUROMUSCULAR BLOCKADE BY TUBOCURARINE & ANTAGONIZES THAT BY DECAMETHONIUM, BUT ITS EFFECTS ON BLOCKADE BY GALLAMINE ARE ERRATIC. PARADOXICALLY, IT MARKEDLY POTENTIATES & PROLONGS NEUROMUSCULAR ACTIONS OF SUCCINYLCHOLINE. /HEXAFLUORENIUM BROMIDE/

INTERACTION OF HEXAFLUORENIUM BROMIDE WITH ACETYLCHOLINE IODIDE, CARBACHOL & SUXAMETHONIUM CHLORIDE WITH REGARD TO DEPOLARIZATION OF THE END-PLATE OF RAT DIAPHRAGM WAS STUDIED.

Human Toxicity Excerpts · 1 件

POISONING FROM NEUROMUSCULAR BLOCKING AGENTS IS ALMOST ALWAYS RESULT OF CLINICAL OVERDOSAGE OR THEIR INJUDICIOUS USE. IMPORTANT UNTOWARD RESPONSES ARE PROLONGED APNEA, CARDIOVASCULAR COLLAPSE, & THOSE RESULTING FROM HISTAMINE RELEASE. /NEUROMUSCULAR BLOCKING AGENTS/

法規制情報

FDA Requirements · 1 件

Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).

化学と産業

薬理情報

ATC Code · 2 件

M - Musculo-skeletal system

QM - Musculo-skeletal system

Pharmacodynamics · 1 件

Hexafluronium bromide is a cholinesterase antagonist that can be used to prolong the relaxation effects of succinylcholine or suxamethonium chloride. Suxamethonium acts as a depolarizing muscle relaxant. It imitates the action of acetylcholine at the neuromuscular junction and is degraded by pseudocholinesterase, a plasma cholinesterase. The prolonged stimulation of the acetylcholine receptor results first in disorganized muscle contractions, then in profound relaxation. Cholinesterases catalyze the hydrolysis of the neurotransmitter acetylcholine into choline and acetic acid, a reaction necessary to allow a cholinergic neuron to return to its resting state after activation. There are two types of cholinesterase acetylcholinesterase and pseuodocholinesterase. The first hydrolyses acetylcholine more quickly; the latter hydrolyses butyrylcholine and succinylcholine more quickly. An absence or mutation of the pseudocholinesterase enzyme leads to a medical condition known simply as pseudocholinesterase deficiency. This is a silent condition that only manifests itself when people who have the deficiency receive the muscle relaxants succinylcholine or mivacurium during a surgery.

Mechanism of Action · 3 件

Hexafluronium bromide is a non-competitive reversible inhibitor of human plasma cholinesterase or pseudocholinesterase. Hexafluornium probably binds to anionic side receptors near the active center, causing a conformational change in the enzyme, preventing acylation of the esteratic site. The esteratic site on cholistereases is where acetylcholine is hydrolyzed to acetic acid and choline.

... WORK ... HAS LED TO PROPOSAL THAT PREJUNCTIONAL MOTOR-NERVE TERMINAL IS PRIMARY SITE OF ACTION OF COMPETITIVE & DEPOLARIZING NEUROMUSCULAR BLOCKING AGENTS. /NEUROMUSCULAR BLOCKING AGENTS/

...DESTRUCTION BY PLASMA CHOLINESTERASE IS...PRINCIPAL MEANS WHEREBY SUCCINYLCHOLINE IS DEGRADED, PROLONGATION OF ACTION MIGHT BE EXPLAINED BY ANTICHOLINESTERASE ACTION. HOWEVER, MARKED POTENTIATION CANNOT BE SO EXPLAINED, & VARIOUS EXPTL OBSERVATIONS INDICATE...INTERACTION @ NEUROMUSCULAR JUNCTION. /HEXAFLUORENIUM BROMIDE/

MeSH Pharmacological Classification · 1 件

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

データベース識別子

CAS
4844-10-4
PubChem CID
3601
DTXSID
DTXSID00859333
ChEMBL
CHEMBL1201349
ChEBI
CHEBI:135804
UNII
55W5L6G81R
Nikkaji
J488.894D

安全データ

有毒物質データの
4844-10-4(Hazardous Substances Data)

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

UsesMEDICATION
Methods of ManufacturingPrepared by reaction of 9-bromofluorene with dimethylamine and subsequent reaction with 1,6-dibromohexane. /Bromide/
Formulations/PreparationsDRUG IS AVAILABLE IN SOLN IN 10-ML VIALS (20 MG/ML). /HEXAFLUORENIUM BROMIDE/