2-ブチル-4-クロロ-1-[(2′-シアノビフェニル-4-イル)メチル]-5-ヒドロキシメチル-1H-イミダゾール
4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carbonitrile
基本情報
- CAS
114772-55-3- 標準SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
FGCNIDUBRIVYBP-UHFFFAOYSA-N- 分子式
- C22H22ClN3O
- 平均分子量
- 379.9 g/mol
- 単同位体質量
- 379.14514
名称と識別子
- 優先名称
- 4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carbonitrile
- IUPAC
- 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile
- 現地名
- 2-ブチル-4-クロロ-1-[(2′-シアノビフェニル-4-イル)メチル]-5-ヒドロキシメチル-1H-イミダゾール
- 英語名
- 4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile
- 分子式
- C22H22ClN3O
- 分子量
- 379.88
名称と別名
114772-55-3Des[2'-(1H-tetrazol-5-yl)] 2-cyanolosartan6XP2V6YP8QDTXSID90560148Des(2'-(1H-tetrazol-5-yl)) 2-cyanolosartan4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carbonitrile4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-carbonitrile4'-{[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[1,1'-biphenyl]-2-carbonitrileRefChem:1069016DTXCID905109262-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile4'-[(2-BUTYL-4-CHLORO-5-HYDROXYMETHYL-1H-IMIDAZOL-1-YL)METHYL]-1,1'-BIPHENYL-2-CARBONITRILE
名称をさらに表示
2-ブチル-4-クロロ-1-[(2′-シアノビフェニル-4-イル)メチル]-5-ヒドロキシメチル-1H-イミダゾール4'-{[2-ブチル-4-クロロ-5-(ヒドロキシメチル)-1H-イミダゾール-1-イル]メチル}-[1,1'-ビフェニル]-2-カルボニトリル1'-Biphenyl]-2-carbonitrileBenzene,1,3,5-tribromo-2,4,10-trimethyl-4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-4'-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[14′-(2-butyl-4-chloro-5-hydroxyMethyliMidzole-1-ylMethyl)- biphenyl-2-carbonitrile4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carbonitrile
4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazoleMFCD16619233[1,1'-Biphenyl]-2-carbonitrile, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-Losartan Impurity 334'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-[1,1'-biphenyl]-2-carbonitrileLosartan Impurity 3Losartan Impurity 8
データベース識別子
- CAS
114772-55-3- PubChem CID
- 14425664
- DTXSID
DTXSID90560148- UNII
- 6XP2V6YP8Q
- EC Number
- 601-328-2
- Nikkaji
- J1.906.406I
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 61.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 499
物理化学的性質
- 融点
- 157 · 157-158°C
- 沸点
- 605.6 · 605.6±55.0 °C(Predicted)
- 比重(密度)
- 1.19 · 1.19
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（微量）、酢酸エチル（微量）
- 酸解離定数(Pka)
- 13.66 · 13.66±0.10(Predicted)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
化学と産業
応用分野
使用Des[2’-(1H-tetrazol-5-yl)] 2-Cyanolosartan is a derivative of Losartan Potassium (L470500), a an angiotensin II antagonist and is commonly used to significantly reduce risk of new onset atrial fibrillation and associated stroke in high-risk patients.
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