デカメトニウムブロミド
Decamethonium dibromide
基本情報
- CAS
541-22-0- 標準SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]- InChIKey
HLXQFVXURMXRPU-UHFFFAOYSA-L- 分子式
- C16H38N2.2Br
- 平均分子量
- 418.3 g/mol
- 単同位体質量
- 416.14017
概要
Crystals derived from methanol and acetone. (NTP, 1992)
名称と識別子
- 優先名称
- Decamethonium dibromide
- IUPAC
- trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
- 現地名
- デカメトニウムブロミド
- 英語名
- DECAMETHONIUM BROMIDE
- 分子式
- C16H38Br2N2
- 分子量
- 418.29
名称と別名
Decamethonium dibromideDecamethylenebis(trimethylammonium bromide)Decamethylene bis(trimethylammonium bromide)Decamethylene-1,10-bistrimethylammonium dibromideAmmonium, decamethylenebis(trimethyl-, dibromideRefChem:54940DECAMETHONIUM BROMIDE541-22-0SyncurineDecamethonium (Bromide)DecacuranBromuro de decametonio
名称をさらに表示
デカメトニウムブロミドデカメトニウムジブロミドデカクランN,N,N,N',N',N'-ヘキサメチル-1,10-デカンジアミニウム·ジブロミドデカン-1,10-ビス(トリメチルアンモニウムブロミド)デカメチレンビス(トリメチルアミニウム)·ジブロミドN,N,N,N',N',N'-ヘキサメチル-1,10-デカンジアミニウム·2ブロミド臭化デカメトニウムデカメチレンビス(トリメチルアンモニウムブロミド)臭化デカメソニウムdekamethoniumbromiddecamethoniumdibromideDecamethonium Bromide >Decamethonium bromide ,98%Decamethonium Bromide, ≥ 98.0%DECAMETHONIUM BROMIDE USP/EP/BPDecamethonium bromide, 10 mM in DMSO
Decamethonium bromideBromure de decamethonium1,10-Decanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromideDTXSID2022886MFCD00011779Decamethylene bis(trimethylammonium) dibromide55C6RK944KNSC-23004
データベース識別子
- CAS
541-22-0- PubChem CID
- 10921
- DTXSID
DTXSID2022886- ChEMBL
CHEMBL1134- UNII
- 55C6RK944K
- EC Number
- 208-772-2
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
- 11
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 164
実験および物理化学的性質
Solubilitygreater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point514 to 518 °F (NTP, 1992)
Physical DescriptionCrystals derived from methanol and acetone. (NTP, 1992)
物理化学的性質
- 融点
- 263 · 263-267 °C(lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 mg/ml; · DMF: 2 mg/ml; DMSO: 16 mg/ml; Ethanol: 33 mg/ml; PBS (pH 7.2): 5 mg/ml
- 外見
- 結晶性
- 色
- オフホワイト
- 水溶解度
- ほとんど透明
- Merck
- 14 · 14,2847
- BRN
- 3728288 · 3728288
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
- InChIKey
- HLXQFVXURMXRPU-UHFFFAOYSA-L
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Other Safety InformationIMAP assessments - 1,10-Decanediaminium, N,N,N,N',N',N'-hexamethyl-, dibromide: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Reactive GroupNon-Redox-Active Inorganic Compounds
Reactivity ProfileDecamethonium dibromide is a quaternary ammonium salt used as a neuromuscular blocking agent.
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs that interrupt transmission at the skeletal neuromuscular junction by causing sustained depolarization of the motor end plate. These agents are primarily used as adjuvants in surgical anesthesia to cause skeletal muscle relaxation.
用途と製造
General Manufacturing Information1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, bromide (1:2): INACTIVE
応用分野
用途薬理・生理作用研究用、イオンペア試薬。
説明Decamethonium is a depolarizing neuromuscular blocking agent. It is a partial agonist of muscle-type nicotinic acetylcholine receptors (nAChRs). Decamethonium activates α1β1-containing adult mouse muscle-type nAChRs expressed in X. laevis oocytes with an EC50 value of 40 μM using voltage clamp electrophysiology. It is also a nondepolarizing antagonist of neuronal-type nAChRs, inhibiting mouse α7-, α3β2-, α3β4-, and α4β2-containing receptors with IC50 values of 7.4, 405, 28, and 59 μM, respectively. Decamethonoium is a competitive antagonist of α4β2-containing nAChRs expressed in SH-EP1 cells (IC50 = 52 μM for the human receptor). It also inhibits electric eel acetylcholinesterase (AChE) and blocks electrically-evoked tibialis muscle twitches in anesthetized cats with ED95 values of 35 and 70 μg/kg for cats under chloralose and ether anesthesia, respectively. Formulations containing decamethonium have been used to induce paralysis during anesthesia.
使用antipsychotic
一般的な説明Crystals derived from methanol and acetone.
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