基本情報
- CAS
17780-72-2- 標準SMILES
C#CCN(C)CCCOc1ccc(Cl)cc1Cl- InChIKey
BTFHLQRNAMSNLC-UHFFFAOYSA-N- 分子式
- C13H15Cl2NO
- 平均分子量
- 272.17 g/mol
- 単同位体質量
- 271.0530695
概要
Clorgyline is an aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. It has a role as an antidepressant and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is a dichlorobenzene, an aromatic ether, a tertiary amino compound and a terminal acetylenic compound.
名称と識別子
- 優先名称
- Clorgyline
- IUPAC
- 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
- 現地名
- クロルギリン
- 英語名
- CLORGYLINE
- 分子式
- C13H15Cl2NO
- 分子量
- 272.17
名称と別名
ClorgilineCLORGYLINE17780-72-2ChlorgylineClorgilinaClorgilinumM and B 9302M & B 9302N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamineM&B 9302LYJ16FZU9QN-(3-(2,4-dichlorophenoxy)propyl)-N-methylprop-2-yn-1-amine
名称をさらに表示
N-メチル-N-[3-(2,4-ジクロロフェノキシ)プロピル]-2-プロピン-1-アミンクロルギリンN-メチル-N-(2-プロピニル)-3-(2,4-ジクロロフェノキシ)プロピルアミンN-[3-(2,4-ジクロロフェノキシ)プロピル]-N-メチル-2-プロピン-1-アミンクロルジリン[3-(2,4-ジクロロフェノキシ)プロピル](メチル)(プロパ-2-イン-1-イル)アミンN-[3-(2,4-Dichlorophenoxy)propyl]-N-methyl-2-propyn-1-aminem&b9302mandb9302n-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-2-propynylaminn-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-2-propyn-1-aminN-Methyl-N-[3-(2,4-dichlorophenoxy)propyl]-2-propyne-1-amine3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine2-Propyn-1-aMine, N-[3-(2,4-dichlorophenoxy)propyl]-N-Methyl-
DTXSID3048445M&B-9302N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-CHEBI:3763ClorgilinRefChem:127097DTXCID9028419
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 12.5 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
- 6
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 263
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Collision Cross Section156.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 沸点
- 361.3 · 361.3±37.0 °C(Predicted)
- 比重(密度)
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 6.98 · 6.98±0.50(Predicted)
- 外見
- Liquid
- 色
- Colorless to light yellow
化学と産業
薬理情報
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
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