基本情報
- CAS
64795-35-3- 標準SMILES
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21- InChIKey
JLVHTNZNKOSCNB-YSVLISHTSA-N- 分子式
- C18H26N4O2S
- 平均分子量
- 362.5 g/mol
- 単同位体質量
- 362.17764726
概要
Mesulergine is a member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors. It has a role as a serotonergic antagonist, an antiparkinson drug and a dopamine agonist. It is an ergot alkaloid and a member of sulfamides. It derives from a hydride of an ergoline.
名称と識別子
- 優先名称
- Mesulergine
- IUPAC
- (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
- 現地名
- メスレルギン
- 英語名
- MESULERGINE
- 分子式
- C18H26N4O2S
- 分子量
- 362.49
名称と別名
Mesulergine64795-35-3MesulerginaMesulerginumDTXSID3046324SML95FK06IN'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolineDTXCID1026324CHEBI:73378CU-32085N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide
名称をさらに表示
N′-(1,6-ジメチルエルゴリン-8α-イル)-N,N-ジメチルスルファミドメスレルギンN′-[(8α)-1,6-ジメチルエルゴリン-8-イル]-N,N-ジメチルスルファミド{[(2R,4S,7R)-6,11-ジメチル-6,11-ジアザテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-1(16),9,12,14-テトラエン-4-イル]スルファモイル}ジメチルアミンcq32085Mesulergine hydrochlSulfamide, N'-[(8α)-1,6-dimethylergolin-8-yl]-N,N-dimethyl-N'-[(8-α1,6-dimethylergolin-8-yl]-N,N-dimethylsulfamidehydrochloride
N'-((8alpha)-1,6-dimethylergolin-8-yl)-N,N-dimethylsulfuric diamide(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo(4,3-fg)quinolineRefChem:156693Mesulergine [INN]CQ 32085CHEMBL12314NCGC00163168-01Mesulerginum [INN-Latin]
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 66 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 605
物理化学的性質
- 沸点
- 545.7 · 545.7±60.0 °C(Predicted)
- 比重(密度)
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 貯蔵温度
- Desiccate at RT
- 酸解離定数(Pka)
- 11.34 · 11.34±0.20(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Drugs that bind to and activate dopamine receptors.
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補足説明
定義ChEBI: A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
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