基本情報
- CAS
62373-97-1- 標準SMILES
C[NH+](C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1.[Cl-]- InChIKey
CWRRQXXGIKGNJA-PQTJMFGHSA-N- 分子式
- C17H24Cl3N
- 平均分子量
- 348.7 g/mol
- 単同位体質量
- 347.097433
概要
inhibitor of dopamine uptake; RN given refers to HCl(cis)-isomer; structure
名称と識別子
- 優先名称
- Bicyclo(2.2.2)octane-2-methanamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride (1:1), (2R,3S)-rel-
- IUPAC
- [(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
名称と別名
LR 5182RefChem:917167LR-5659cis-3-(3,4-dichlorophenyl)-N,N-dimethylbicyclo(2.2.2)octane-2-methanamine, hydrochlorideBicyclo(2.2.2)octane-2-methanamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride (1:1), (2R,3S)-rel-62373-97-1(-)-cis-2-(3,4-Dichlorophenyl)-3-dimethylaminomethylbicyclo(2.2.2)octane, hydrochloride(Z)-3-(3,4-Dichlorophenyl)-N,N-dimethylbicyclo(2.2.2)octane-2-methylamine hydrochlorideBicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, (Z)-(+)-Bicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, (Z)-(-)-EW5182cis-3-(3,4-Dichlorophenyl)-N,N-dimethylbicyclo(2.2.2)octane-2-methanamine hydrochloride
名称をさらに表示
62373-99-362374-00-9Bicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, (Z)-
物性
構造計算による物性
- 極性表面積
- 4.4 Ų
- 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
- 3
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 325
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