基本情報
- CAS
4969-02-2- 標準SMILES
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1- InChIKey
MJFJKKXQDNNUJF-UHFFFAOYSA-N- 分子式
- C20H23NS
- 平均分子量
- 309.5 g/mol
- 単同位体質量
- 309.15512091
概要
Metixene is a member of piperidines and a member of thioxanthenes. It has a role as a histamine antagonist, an antiparkinson drug and a muscarinic antagonist.
名称と識別子
- 優先名称
- Metixene
- IUPAC
- 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
- 現地名
- メチキセン
- 英語名
- metixene
- 分子式
- C20H23NS
- 分子量
- 309.47
名称と別名
MetixeneMETHIXENETremaril4969-02-2Methixart1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidineMethixenMetixenoMetiseneMetixenum32VY6L26ZWDTXSID1047867
名称をさらに表示
1-メチル-3-(9H-チオキサンテン-9-イルメチル)ピペリジン9-[(1-メチル-3-ピペリジニル)メチル]-9H-チオキサンテンメチキセン1-メチル-3-[(9H-チオキサンテン-9-イル)メチル]ピペリジンTrestTremonil60 SJ 1977Aids-001633metixene USP/EP/BP60 Sj 1977 (*hydrochloride*)9H-Thioxanthene, piperidine deriv.
CHEBI:51024RefChem:818765DTXCID1027843N04AA03225-610-6AtosilMethixen [German]Metisene [DCIT]
データベース識別子
- CAS
4969-02-2- PubChem CID
- 4167
- DTXSID
DTXSID1047867- ChEMBL
CHEMBL1201342- ChEBI
CHEBI:51024
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 28.5 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
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 349
実験および物理化学的性質
DrugsPharmaceuticals
LogP4.7
Solubility
Soluble as HCl salt
1.02e-04 g/L
Melting Point
< 25 °C
< 25 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 25 °C · <25 °C
- 沸点
- 0.07 · bp0.07 171-175°
- 比重(密度)
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.46 · 9.46±0.10(Predicted)
- NISTの化学物質情報
- 1 · Piperidine, 1-methyl-3-(9h-thioxanthen-9-ylmethyl)-(4969-02-2)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Exposure RoutesAbsorbed in the gastrointestinal tract following oral administration, however the extent of absorption is not known.
Toxicity Summary
Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance.
Signs and Symptoms
Signs of overdose include dilated and sluggish pupils, warm, dry skin, facial flushing, decreased secretions of the mouth, pharynx, nose, and bronchi, foul-smelling breath, elevated temperature, tachycardia, cardiac arrhythmias, decreased bowel sounds, urinary retention, delirium, disorientation, anxiety, hallucinations, illusions, confusion, incoherence, agitation, hyperactivity, ataxia, loss of memory, paranoia, combativeness, and seizures.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Metixene is a tertiary antimuscarinic with actions similar to those of atropine; it also has antihistaminic and direct antispasmodic properties. It is used for the symptomatic treatment of parkinsonism, including the alleviation of the extrapyramidal syndrome induced by other drugs such as phenothiazines, but, like other antimuscarinics, it is of no value against tardive dyskinesias. Metixene has been discontinued.
Mechanism of Action
Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance.
Metabolism/Metabolites
Hepatic. Metabolism occurs via sulfoxydation and N-demethylation.
Hepatic. Metabolism occurs via sulfoxydation and N-demethylation.
Absorption, Distribution and ExcretionAbsorbed in the gastrointestinal tract following oral administration, however the extent of absorption is not known.
Cellular LocationsMembrane
用途と製造
UsesUsed for the symptomatic treatment of parkinsonism.
上流・下流製品情報
上流原料
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