基本情報
- CAS
17299-00-2- 標準SMILES
CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1- InChIKey
AHZBEVXBKNYXPU-UHFFFAOYSA-N- 分子式
- C22H32N4O4+2
- 平均分子量
- 416.5 g/mol
- 単同位体質量
- 416.24235551
概要
Distigmine is a carbamate ester resulting from the formal condensation of both carboxy groups of hexane-1,6-diylbis(methylcarbamic acid) with the hydroxy group of 3-hydroxy-1-methylpyridinium. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a muscarinic agonist. It is a carbamate ester and a pyridinium ion.
名称と識別子
- 優先名称
- Distigmine
- IUPAC
- (1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate
名称と別名
DistigmineDistigmine ionDistigmine cation17299-00-2HexamariumT940307O7BPyridinium, 3,3'-(1,6-hexanediylbis((methylimino)carbonyloxy))bis(1-methyl-CHEBI:80756DTXSID00169484Pyridinium, 3,3'-[1,6-hexanediylbis[(methylimino)carbonyloxy]]bis[1-methyl-RefChem:135137DTXCID1091975
名称をさらに表示
1-methyl-3-((methyl((6-(methyl((((1-methylpyridin-1-ium-3-yl)oxy)carbonyl))amino)hexyl))carbamoyl)oxy)pyridin-1-iumDistigmine [WHO-DD]UNII-T940307O7B(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridin-1-ium)Distigmine - API StandardsCHEMBL1199307SCHEMBL16674116
データベース識別子
- CAS
17299-00-2- PubChem CID
- 3116
- DTXSID
DTXSID00169484- ChEMBL
CHEMBL1199307- ChEBI
CHEBI:80756- UNII
- T940307O7B
- Nikkaji
- J221.234J
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 11
- 重原子数
- 30
- 形式電荷
- 2
- 複雑度
- 487
実験および物理化学的性質
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >10
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