基本情報
- CAS
65151-66-8- 標準SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cn1oc(=O)c(C=Cc2n(C)c3nc4ccccc4nc3[n+]2C)c1-c1ccccc1- InChIKey
GLRIZEVWEWNAQT-UHFFFAOYSA-M- 分子式
- C30H27N5O5S
- 平均分子量
- 569.6 g/mol
- 単同位体質量
- 569.17329015
名称と識別子
- 優先名称
- 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1,3-dimethyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonate
名称と別名
65151-66-81H-Imidazo[4,5-b]quinoxalinium, 2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl]-1,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)EINECS 265-545-01H-Imidazo(4,5-b)quinoxalinium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1,3-dimethyl-, 4-methylbenzenesulfonate (1:1)RefChem:797511H-Imidazo[4,5-b]quinoxalinium, 2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl]-1,3-dimethyl-, 4-methylbenzenesulfonate (1:1)DTXSID50926241GLRIZEVWEWNAQT-UHFFFAOYSA-M1,3-Dimethyl-2-[2-(2-methyl-5-oxo-3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)ethen-1-yl]-1H-imidazo[4,5-b]quinoxalin-3-ium 4-methylbenzene-1-sulfonate1,3-DIMETHYL-2-[2-(2-METHYL-5-OXO-3-PHENYL-2,5-DIHYDRO-1,2-OXAZOL-4-YL)ETHENYL]-1H-IMIDAZO[4,5-B]QUINOXALIN-3-IUM 4-METHYLBENZENE-1-SULFONATE
データベース識別子
- CAS
65151-66-8- PubChem CID
- 103283
物性
構造計算による物性
- 極性表面積
- 130 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 898
化学と産業
用途と製造
General Manufacturing Information1H-Imidazo[4,5-b]quinoxalinium, 2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl]-1,3-dimethyl-, 4-methylbenzenesulfonate (1:1): INACTIVE
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