1,2,3,4-テトラヒドロ-1-メチルイソキノリン

1-Methyl-1,2,3,4-tetrahydroisoquinoline

HCID 92214

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4965-09-7
標準SMILES: CC1NCCc2ccccc21
InChIKey: QPILYVQSKNWRDD-UHFFFAOYSA-N
分子式: C10H13N
平均分子量: 147.22 g/mol
単同位体質量: 147.10479942

概要

1-methyl-1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.

名称と識別子

優先名称: 1-Methyl-1,2,3,4-tetrahydroisoquinoline
IUPAC: 1-methyl-1,2,3,4-tetrahydroisoquinoline
現地名: 1,2,3,4-テトラヒドロ-1-メチルイソキノリン
英語名: 1-methyl-1,2,3,4-tetrahydroisoquinoline
分子式: C10H13N
分子量: 147.22

名称と別名

1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-71-M-ThiqIsoquinoline, 1,2,3,4-tetrahydro-1-methyl-DTXSID70897161B8PA6UPV68RefChem:76188DTXCID20837294803-804-7N-Methyl-1,2,3,4-tetrahydroisoquinolineMFCD007989891-Methyl-1,2,3,4-tetrahydro-isoquinoline

名称をさらに表示

1-メチル-1,2,3,4-テトラヒドロイソキノリン1,2,3,4-テトラヒドロ-1-メチルイソキノリン1メチルテトラヒドロイソキノリン1MeTIQ1Methyltetrahydroisoquinoline1-Methyl-2,3,4-tetrahydroisoquinoline1-Methyl-1,2,3,4-tetrahydroisoquinoline,95%4965-09-7 (1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE)

CHEMBL95456SCHEMBL327738CHEBI:125372CS-W002686AC-82711,2,3,4-Tetrahydro-1-methylisoquinoline(R)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline(s)-1-methyl-1,2,3,4-tetrahydro-isoquinoline

データベース識別子

CAS: 4965-09-7
PubChem CID: 92214
DTXSID: DTXSID70897161
ChEMBL: CHEMBL95456
ChEBI: CHEBI:125372
UNII: B8PA6UPV68
EC Number: 803-804-7
Nikkaji: J103.205D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

物理化学的性質

沸点: 119 ℃/18mm · 119℃/18mm
比重(密度): 0.966 · 0.966±0.06 g/cm3(Predicted)
屈折率: 1.557 to · 1.5570 to 1.5610
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
外見: 液体
酸解離定数(Pka): 9.73 · 9.73±0.40(Predicted)
色: ペールイエロー
水溶解度: 水にわずかに溶ける。
CAS データベース: 4965 · 4965-09-7

化学的性質

化学的特性Colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 41 reports by companies from 4 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 (97.6%)

安全データ

hs_code: 2933499090
消防法: 危-4-3-III

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

応用分野 · 1 件

使用1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ) is an endogenous antidepressant and parkinsonism-preventing substance that demonstrates neuroprotectiveactivity. Following systemic administration in rats, 1-Methyl-1,2,3,4-tetrahydroisoquinoline produces antidepressant-like effect similar to the effect of imipramine. 1MeTIQ is a reversible short-acting moderate inhibitor of MAO A/B. Also known as 1,2,3,4-Tetrahydro-1-methylisoquinoline, 1MeTIQ. It is an important raw material and intermediate for revaprazan and pharmaceutical.