CAS 151052-40-3 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity) (HCID 178519404)

基本情報

CAS: 151052-40-3
標準SMILES: O=Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChIKey: HQBRKMUDLIZVAS-UHFFFAOYSA-N
分子式: C14H10N4O
平均分子量: 250.25 g/mol
単同位体質量: 250.08546096

名称と識別子

優先名称: 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity)
IUPAC: 4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
英語名: 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan IMpurity)
分子式: C14H10N4O
分子量: 250.26

名称と別名

151052-40-34-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity)Valsartan Impurity 352'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehydeMFCD204834092'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehyde2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carboxaldehyde2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehydeJR846PVT27SCHEMBL1561472SCHEMBL1774532

名称をさらに表示

Valsartan impurity 34"2-(1H-Tetrazol-5-yl)-1,1-biphenyl-4-carboxaldehyde"2’-(2H-Tetrazol-5-yl)-[1,1’-biphenyl]-4-carboxaldehyde[1,1'-Biphenyl]-4-carboxaldehyde, 2'-(2H-tetrazol-5-yl)-2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehyde (Olmesartan impurity)

2'-(1h-tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehydeHQBRKMUDLIZVAS-UHFFFAOYSA-NBGA05240CS-0370584C906892'-(1 H-tetrazol-5-yl)biphenyl-4-carbaldehyde2'-(1H-tetrazol-5-yl)-biphenyl-4-carbaldehyde

物性

構造計算による物性

XLogP: 2.2
極性表面積: 71.5 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 304

物理化学的性質

融点: 176 °C · >176°C (dec.)
沸点: 516.3 · 516.3±60.0 °C(Predicted)
比重(密度): 1.319 · 1.319±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C Freezer, Under inert atmosphere
溶解性: クロロホルム（微量、加熱）、DMSO（微量）、エタノール（微量、加熱）、メタ
酸解離定数(Pka): 4.14 · 4.14±0.10(Predicted)
外見: 個体
色: ホワイトからオフホワイト
安定性: 空気に敏感

化学と産業

応用分野 · 1 件

使用2''-(1H-Tetrazol-5-yl)-1,1''-biphenyl-4-carboxaldehyde is an impurity of Losartan Potassium (L470500), an angiotensin II antagonist and is commonly used to significantly reduce risk of new onset atrial fibrillation and associated stroke in high-risk patients.