4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-(2,5'-bibenzo(d)imidazol)-3'-yl)methyl)-(1,1'-biphenyl)-2-carbonitrile
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
144702-27-2- 標準SMILES
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
XIEVZYAEXURSHX-UHFFFAOYSA-N- 分子式
- C33H29N5
- 平均分子量
- 495.6 g/mol
- 単同位体質量
- 495.24229595
名称と識別子
- 優先名称
- 4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-(2,5'-bibenzo(d)imidazol)-3'-yl)methyl)-(1,1'-biphenyl)-2-carbonitrile
- IUPAC
- 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
- 英語名
- propyl[2,6'-bi-1H-benzimidazol]-1'-yl]methyl]-
- 分子式
- C33H29N5
- 分子量
- 495.62
名称と別名
4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-[2,5'-bibenzo[d]imidazol]-3'-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-(2,5'-bibenzo(d)imidazol)-3'-yl)methyl)-(1,1'-biphenyl)-2-carbonitrileRefChem:505883480-420-2144702-27-22-Descarboxy-2-cyano TelmisartanTelmisartan EP Impurity GUNII-A8M0GXG1XVA8M0GXG1XVTelmisartan impurity G [EP]PROPYL[2,6'-BI-1H-BENZIMIDAZOL]-1'-YL]METHYL]-(1,1'-Biphenyl)-2-carbonitrile, 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-
名称をさらに表示
TelMisartan IMpurity GTelmisartan impurities1041Telmisartan Impurity G（EP）Telmisartanintermediatenitrile2-hydroxy-44-(methylthio)butanamideTelmisartan Impurity 7(Telmisartan EP Impurity G)
2-Descarboxy-2-cyanoTelmisartan-d34'-((4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-yl)methyl)biphenyl-2-carbonitrile2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile4'-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}-[1,1'-biphenyl]-2-carbonitrile4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carbonitrile[1,1'-Biphenyl]-2-carbonitrile, 4'-[[1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl]methyl]-4'-[[4-Methyl-6-(1-methyl-1H-benz-imidazol-2-yl)-2-propyl-1H-benzimidazol-1-yl]-methyl]biphenyl-2-carbonitrile; 2-Descarboxy-2-cyano Telmisartan; 4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carbonitrile; Telmisartan Imp G (EP); Telmisartan Impurity G
物性
構造計算による物性補完中
- XLogP
- 7.1
- 極性表面積
- 59.4 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
- 38
- 形式電荷
- 0
- 複雑度
- 828
物理化学的性質
- 融点
- 181.2 · 181.2-182.1℃
- 沸点
- 775.1 · 775.1±70.0 °C(Predicted)
- 比重(密度)
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 4.99 · 4.99±0.10(Predicted)
- 色
- White to Off-White
- 水溶解度
- 6 μg/L · 6μg/L at 20℃
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: 4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-[2,5'-bibenzo[d]imidazol]-3'-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile (EC: 480-420-2)
Hazard Classes and CategoriesNot Classified
化学と産業
応用分野
使用2-Descarboxy-2-cyano Telmisartan is an impurity of the angiotensin II receptor antagonist, Telmisartan (T017000).
関連反応
4 件
化合物ノート
読み込み中…