基本情報
- CAS
767625-84-3- 標準SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O- InChIKey
WNTBFLNHQQTHSU-UHFFFAOYSA-N- 分子式
- C40H48N4O4+2
- 平均分子量
- 648.8 g/mol
- 単同位体質量
- 648.36755603
名称と識別子
- 優先名称
- 3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propyl-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium
- IUPAC
- 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium
名称と別名
WB 64WB64NCGC00016096-01Lopac-W-4761Lopac0_001268cid_405251CHEMBL1182747BDBM80806DTXSID601018012CCG-205341NCGC00016096-02NCGC00016096-03
名称をさらに表示
NCGC00162384-013-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propyl-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium767625-84-33-(1,3-diketobenzo[de]isoquinolin-2-yl)propyl-[6-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium;bromide3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl-[6-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl-dimethylammonio]hexyl]-dimethylammonium;bromide3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl-[6-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium;bromideN,N'-Bis[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N,N,N',N'-tetramethyl-1,6-hexanebis(aminium)
データベース識別子
- CAS
767625-84-3- PubChem CID
- 405252
- DTXSID
DTXSID601018012- ChEMBL
CHEMBL1182747- Nikkaji
- J1.330.630C
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 74.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 15
- 重原子数
- 48
- 形式電荷
- 2
- 複雑度
- 1,030
関連反応
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