Propoxyphenyl thiohydroxyhomosildenafil
基本情報
- CAS
479073-90-0- 標準SMILES
CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc(=S)c2c([nH]1)c(CCC)nn2C- InChIKey
DEWHQLWUEFWZSK-UHFFFAOYSA-N- 分子式
- C24H34N6O4S2
- 平均分子量
- 534.7 g/mol
- 単同位体質量
- 534.20829593
名称と識別子
- 優先名称
- Propoxyphenyl thiohydroxyhomosildenafil
- IUPAC
- 5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
- 英語名
- Propoxyphenyl-thiohydroxyhomosildenafil
- 分子式
- C24H34N6O4S2
- 分子量
- 534.69
名称と別名
Propoxyphenyl-thiohydroxyhomosildenafilPropoxyphenyl thiohydroxyhomosildenafil295414T63RUNII-295414T63RPROPOXYPHENYLTHIOHYDROXYHOMOSILDENAFILRefChem:202746479073-90-0J3.185.969GPropoxyphenyl hydroxyethylthiosildenafil5-(5-((4-(2-Hydroxyethyl)piperazin-1-yl)sulfonyl)-2-propoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidine-7(4H)-thionePropoxyphenyl-?thiohydroxyhomosilde?nafil1,6-Dihydro-5-(5-((4-(2-hydroxyethyl)-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-1-methyl-3-propyl-7H-pyrazolo(4,3-d)pyrimidine-7-thione
名称をさらに表示
Sildenafil Analogue IThiohydroxyhomosildenafilSildenafil Analogue I (Propoxyphenyl-Propoxyphenyl-thiohydroxyhomosildenafil (Standard)Sildenafil Analogue I (Propoxyphenyl-ThiohydroxyhoMosildenafil)Propoxyphenyl thiohydroxyhomosildenafil Solution in Methanol, 100μg/mL7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 1,6-dihydro-5-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-propyl-
1-Piperazineethanol, 4-((3-(4,7-dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-propoxyphenyl)sulfonyl)-5-(5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)-2-propoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-thione5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione7H-Pyrazolo(4,3-d)pyrimidine-7-thione, 1,6-dihydro-5-(5-((4-(2-hydroxyethyl)-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-1-methyl-3-propyl-Sildenafil Impurity 210orb1985397orb3025158SCHEMBL6716971
データベース識別子
- CAS
479073-90-0- PubChem CID
- 10230401
- UNII
- 295414T63R
- Nikkaji
- J3.185.969G
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 153 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 10
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 890
物理化学的性質
- 融点
- 171 · 171-173°C
- 沸点
- 739.2 · 739.2±70.0 °C(Predicted)
- 比重(密度)
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 貯蔵温度
- Refrigerator
- 溶解性
- クロロホルム（わずかに）、メタノール（わずかに、超音波処理）
- 酸解離定数(Pka)
- 14.96 · 14.96±0.10(Predicted)
- 外見
- 個体
- 色
- 薄黄色～黄色
化学と産業
応用分野
使用Propoxyphenyl-thiohydroxyhomosildenafil is an analogue of Hydroxythiohomo Sildenafil (H963150).
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…