基本情報
- CAS
359878-17-4- 標準SMILES
COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1- InChIKey
AHGNJBSTWQOSAB-UHFFFAOYSA-N- 分子式
- C23H30N2O2
- 平均分子量
- 366.5 g/mol
- 単同位体質量
- 366.2307282
概要
an inverse agonist and competitive antagonist of 5HT(2A) receptors; structure in first source
名称と識別子
- 優先名称
- AC-90179
- IUPAC
- 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
名称と別名
AC-90179359878-17-4H0EVX3PS4B2-(4-Methoxyphenyl)-N-(4-methylbenzyl)-N-(1-methylpiperidin-4-yl)acetamide2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamideBenzeneacetamide, 4-methoxy-N-((4-methylphenyl)methyl)-N-(1-methyl-4-piperidinyl)-AC90179AC 901792-(4-methoxyphenyl)-N-((4-methylphenyl)methyl)-N-(1-methylpiperidin-4-yl)acetamideRefChem:108637UNII-H0EVX3PS4BAHGNJBSTWQOSAB-UHFFFAOYSA-N
名称をさらに表示
GTPL174SCHEMBL341145BDBM86496N-(4-Methylbenzyl)-N-(1-methyl-4-piperidinyl)-4-methoxybenzeneacetamideQ270741402-(4-methoxyphenyl)-n-(4-methylbenzyl)-n-(1-methylpiperidin4-yl) acetamide2-(4-Methoxyphenyl)-N-(4-methylbenzyl)-N-(1-methylpiperidin-4-yl) acetamide
データベース識別子
- CAS
359878-17-4- PubChem CID
- 9799308
- UNII
- H0EVX3PS4B
- Nikkaji
- J1.617.829B
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 32.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 445
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
関連反応
2 件
化合物ノート
読み込み中…