基本情報
- 標準SMILES
CN(C)CCOc1ccc2c(c1)OC(C)(C)CC2c1ccc(C(F)(F)F)cc1.Cl- InChIKey
RHPRTHYFROQWDJ-UHFFFAOYSA-N- 分子式
- C22H27ClF3NO2
- 平均分子量
- 429.9 g/mol
- 単同位体質量
- 429.16824144
概要
dopaminergic agonist; RN given from first source; structure given in first source
名称と識別子
- 優先名称
- Brl 16657
- IUPAC
- 2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine;hydrochloride
名称と別名
Brl 16657FAZ7YM5Z5O59257-24-8brl-16657RefChem:917577Ethanamine, N,N-dimethyl-2-((2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochlorideUNII-FAZ7YM5Z5OBRL 16657 HClDTXSID2043901SCHEMBL113594582-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine;hydrochlorideQ27277896
名称をさらに表示
2,2-Dimethyl-7-dimethylaminoethyloxy-4-(-4-trifluoromethylphenyl)chroman hydrochloride2-({2,2-Dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)ETHANAMINE, 2-((3,4-DIHYDRO-2,2-DIMETHYL-4-(4-(TRIFLUOROMETHYL)PHENYL)-2H-1-BENZOPYRAN-7-YL)OXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)
データベース識別子
- CAS
59257-24-8- PubChem CID
- 42989
- DTXSID
DTXSID2043901- UNII
- FAZ7YM5Z5O
物性
構造計算による物性
- 極性表面積
- 21.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 501
関連反応
6 件
関連ノート
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