基本情報
- CAS
68399-58-6- 標準SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1- InChIKey
OWWLUIWOFHMHOQ-XGHATYIMSA-N- 分子式
- C35H62N4O4+2
- 平均分子量
- 602.9 g/mol
- 単同位体質量
- 602.47710647
概要
Pipecuronium is a steroid ester.
名称と識別子
- 優先名称
- Pipecuronium
- IUPAC
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- 現地名
- 4,4'-[3α,17β-ビス(アセチルオキシ)-5α-アンドロスタン-2β,16β-ジイル]ビス(1,1-ジメチルピペラジニウム)
- 英語名
- Pipecuronium
- 分子式
- C35H62N4O4+2
- 分子量
- 602.89118
名称と別名
PIPECURONIUMPipecurium68399-58-61N3O74HM92DTXSID208606434-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1,1-dimethylpiperazin-1-ium4-((1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecan-13-yl)-1,1-dimethylpiperazin-1-iumDibromide PipecuroniumRefChem:863382Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl)Dihydrate Pipecuronium DibromideDibromide, Dihydrate Pipecuronium
名称をさらに表示
4,4'-[3α,17β-ビス(アセチルオキシ)-5α-アンドロスタン-2β,16β-ジイル]ビス[1,1-ジメチルピペラジニウム]4,4'-[3α,17β-ビス(アセチルオキシ)-5α-アンドロスタン-2β,16β-ジイル]ビス(1,1-ジメチルピペラジニウム)ピペクロニウム4,4′-[3α,17β-ビス(アセチルオキシ)-5α-アンドロスタン-2β,16β-ジイル]ビス(1,1-ジメチルピペラジニウム)4,4′-[3α,17β-ビス(アセチルオキシ)-5α-アンドロスタン-2β,16β-ジイル]ビス[1,1-ジメチルピペラジニウム]
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 59.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 43
- 形式電荷
- 2
- 複雑度
- 1,060
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Solubility9.50e-05 g/L
Physical DescriptionSolid
化学と産業
薬理情報
Pharmacodynamics
Pipecuronium is a nondepolarizing neuromuscular blocking agent. Neuromuscular blocking agents produce skeletal muscle paralysis by blocking neural transmission at the myoneural junction. The paralysis is selective initially and usually appears in the following muscles consecutively: levator muscles of eyelids, muscles of mastication, limb muscles, abdominal muscles, muscles of the glottis, and finally, the intercostal muscles and the diaphragm. Neuromuscular blocking agents have no clinically significant effect on consciousness or the pain threshold.
Mechanism of Action
Nondepolarizing neuromuscular blocking agents inhibit neuromuscular transmission by competing with acetylcholine for the cholinergic receptors of the motor end plate, thereby reducing the response of the end plate to acetylcholine. This type of neuromuscular block is usually antagonized by anticholinesterase agents.
Biological Half-LifePipecuronium has an approximate half-life of 87 minutes.
MeSH Pharmacological Classification
Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.
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.
Cellular LocationsCytoplasm
サプライヤー2 社
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
成都标样生物科技有限公司
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